2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide

C15H24N4OS — CID 45352217

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide
SMILESCc1cc(N)nc(SC(C)C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C15H24N4OS/c1-10-8-13(16)19-15(18-10)21-11(2)14(20)17-9-12-6-4-3-5-7-12/h8,11-12H,3-7,9H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyUWCQRUVHUHFFEY-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.54
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide (PubChem CID 45352217) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide
PubChem CID45352217
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide
SMILESCc1cc(N)nc(SC(C)C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C15H24N4OS/c1-10-8-13(16)19-15(18-10)21-11(2)14(20)17-9-12-6-4-3-5-7-12/h8,11-12H,3-7,9H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyUWCQRUVHUHFFEY-UHFFFAOYSA-N
XLogP2.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide 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-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide (CID 45352217) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide is Cc1cc(N)nc(SC(C)C(=O)NCC2CCCCC2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide?
The InChIKey is UWCQRUVHUHFFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10-8-13(16)19-15(18-10)21-11(2)14(20)17-9-12-6-4-3-5-7-12/h8,11-12H,3-7,9H2,1-2H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide has a molecular weight of 308.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 45352217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).