[email protected]
CAS 116137-73-6 2,4(1H,3H)-Pyrimidinedione, 6-butyl- molecular structure lightbox
CAS RN: 116137-73-6

2,4(1H,3H)-Pyrimidinedione, 6-butyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS116137-73-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

116137-73-6 / 6-butyl-1H-pyrimidine-2,4-dione

6-Butylpyrimidine-2,4(1H,3H)-dione | 6-butyl-1H-pyrimidine-2,4-dione | 2,4(1H,3H)-Pyrimidinedione, 6-butyl-

Standard CAS: 116137-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
116137-73-6
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
SMILES
CCCCC1=CC(=O)NC(=O)N1
InChI
InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(11)10-8(12)9-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKey
UHODQYFUUAKCLL-UHFFFAOYSA-N
Synonyms
6-Butylpyrimidine-2,4(1H,3H)-dione 6-butyl-1H-pyrimidine-2,4-dione 2,4(1H,3H)-Pyrimidinedione, 6-butyl- 6-butylpyrimidine-2,4-diol 6-butylpyrimidin-2,4-diol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.3
TPSA
65.72

LogP / Solubility

WLOGP
0.41
MLOGP
0.35
XLogP3
0.6
Consensus LogP
0.45
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us