2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide

C13H20N4O2S — CID 135485481

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESCC(Sc1nc(N)cc(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C13H20N4O2S/c1-8(12(19)15-9-5-3-2-4-6-9)20-13-16-10(14)7-11(18)17-13/h7-9H,2-6H2,1H3,(H,15,19)(H3,14,16,17,18)
InChIKeyUVQKYDVLJONKEK-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.28
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide (PubChem CID 135485481) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide
PubChem CID135485481
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESCC(Sc1nc(N)cc(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C13H20N4O2S/c1-8(12(19)15-9-5-3-2-4-6-9)20-13-16-10(14)7-11(18)17-13/h7-9H,2-6H2,1H3,(H,15,19)(H3,14,16,17,18)
InChIKeyUVQKYDVLJONKEK-UHFFFAOYSA-N
XLogP1.28
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide (CID 135485481) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide is CC(Sc1nc(N)cc(=O)[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
The InChIKey is UVQKYDVLJONKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(12(19)15-9-5-3-2-4-6-9)20-13-16-10(14)7-11(18)17-13/h7-9H,2-6H2,1H3,(H,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide has a molecular weight of 296.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 135485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).