2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide

C14H22N4O2S — CID 135541299

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2nc(N)cc(=O)[nH]2)C1C
InChIInChI=1S/C14H22N4O2S/c1-8-4-3-5-10(9(8)2)16-13(20)7-21-14-17-11(15)6-12(19)18-14/h6,8-10H,3-5,7H2,1-2H3,(H,16,20)(H3,15,17,18,19)
InChIKeyAANMEJBJTBWSHL-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.39
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 135541299) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID135541299
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2nc(N)cc(=O)[nH]2)C1C
InChIInChI=1S/C14H22N4O2S/c1-8-4-3-5-10(9(8)2)16-13(20)7-21-14-17-11(15)6-12(19)18-14/h6,8-10H,3-5,7H2,1-2H3,(H,16,20)(H3,15,17,18,19)
InChIKeyAANMEJBJTBWSHL-UHFFFAOYSA-N
XLogP1.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide 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-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 135541299) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSc2nc(N)cc(=O)[nH]2)C1C.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is AANMEJBJTBWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8-4-3-5-10(9(8)2)16-13(20)7-21-14-17-11(15)6-12(19)18-14/h6,8-10H,3-5,7H2,1-2H3,(H,16,20)(H3,15,17,18,19).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.39, 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 135541299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).