CAS RN: 1202402-41-2
2-amino-6-(5-methylfuran-2-yl)-5-nitropyrimidin-4-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1202402-41-2
- Purity/Analytical Methods: >99.0%
1202402-41-2 / 2-amino-4-(5-methylfuran-2-yl)-5-nitro-1H-pyrimidin-6-one
2-Amino-6-(5-methylfuran-2-yl)-5-nitropyrimidin-4(3H)-one | 4(3H)-Pyrimidinone, 2-amino-6-(5-methyl-2-furanyl)-5-nitro- | SCHEMBL536690
Basic Information
CAS
1202402-41-2
Multi CAS
No
Molecular Formula
C9H8N4O4
Molecular Weight
236.180000
Exact Mass
236.054555
SMILES
CC1=CC=C(O1)C2=C(C(=O)NC(=N2)N)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O4/c1-4-2-3-5(17-4)6-7(13(15)16)8(14)12-9(10)11-6/h2-3H,1H3,(H3,10,11,12,14)
InChIKey
JBKVXVOEFRYZMV-UHFFFAOYSA-N
Synonyms
2-Amino-6-(5-methylfuran-2-yl)-5-nitropyrimidin-4(3H)-one
4(3H)-Pyrimidinone, 2-amino-6-(5-methyl-2-furanyl)-5-nitro-
SCHEMBL536690
JBKVXVOEFRYZMV-UHFFFAOYSA-N
DTXSID801197117
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
58.36
TPSA
128.05
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
-0.1
Consensus LogP
0.49
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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