2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide

C18H28N4O2 — CID 136560396

IUPAC2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)CC3CCCCC3C)C2)n1
InChIInChI=1S/C18H28N4O2/c1-12-5-3-4-6-14(12)10-17(24)20-15-7-8-22(11-15)18-19-13(2)9-16(23)21-18/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeyVBNNHXUSJMBLAV-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide

2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 136560396) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID136560396
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)CC3CCCCC3C)C2)n1
InChIInChI=1S/C18H28N4O2/c1-12-5-3-4-6-14(12)10-17(24)20-15-7-8-22(11-15)18-19-13(2)9-16(23)21-18/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeyVBNNHXUSJMBLAV-UHFFFAOYSA-N
XLogP1.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]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-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide (CID 136560396) is 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)CC3CCCCC3C)C2)n1.
What is the InChIKey of 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is VBNNHXUSJMBLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12-5-3-4-6-14(12)10-17(24)20-15-7-8-22(11-15)18-19-13(2)9-16(23)21-18/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,20,24)(H,19,21,23).
What are the key properties of 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 136560396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).