N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide

C12H17N3O2 — CID 137147267

IUPACN-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H17N3O2/c1-8-4-2-3-5-9(8)15-12(17)10-6-11(16)14-7-13-10/h6-9H,2-5H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyQGCDHFUNNXGHKM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.08
Rot. Bonds2

About N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137147267) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137147267
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H17N3O2/c1-8-4-2-3-5-9(8)15-12(17)10-6-11(16)14-7-13-10/h6-9H,2-5H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyQGCDHFUNNXGHKM-UHFFFAOYSA-N
XLogP1.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137147267) is N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide is CC1CCCCC1NC(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QGCDHFUNNXGHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-2-3-5-9(8)15-12(17)10-6-11(16)14-7-13-10/h6-9H,2-5H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).