N-cyclohexyl-2H-pyrimidine-1-carboxamide

C11H17N3O — CID 140574592

IUPACN-cyclohexyl-2H-pyrimidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1C=CC=NC1
InChIInChI=1S/C11H17N3O/c15-11(14-8-4-7-12-9-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15)
InChIKeyGWPQGXSTTQUGJC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.89
Rot. Bonds1

About N-cyclohexyl-2H-pyrimidine-1-carboxamide

N-cyclohexyl-2H-pyrimidine-1-carboxamide (PubChem CID 140574592) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-cyclohexyl-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2H-pyrimidine-1-carboxamide
PubChem CID140574592
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-cyclohexyl-2H-pyrimidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1C=CC=NC1
InChIInChI=1S/C11H17N3O/c15-11(14-8-4-7-12-9-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15)
InChIKeyGWPQGXSTTQUGJC-UHFFFAOYSA-N
XLogP1.89
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide
CID 140574616
1-Cyclohexylpyrimidin-2-one
CID 21444336
N-pentyl-2H-pyrimidine-1-carboxamide
CID 66955321
2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate
CID 67471183
3-(6-aminohexadecyl)-1H-pyrimidin-3-ium-2-one
CID 67755447
N-hexyl-2H-pyrimidine-1-carboxamide
CID 70376497
6-(cyclohexylamino)-1H-pyrimidin-2-one
CID 101608710
N-propan-2-yl-2H-pyrimidine-1-carboxamide
CID 140574578
3-Cyclohexyl-1,6-dihydropyrimidin-2-one
CID 141275058
cyclohexanamine;1H-pyrimidin-2-one
CID 145268923
1-Cyclohexyl-3-methylpyrimidin-3-ium-2-one
CID 21828717
1,3-Dicyclohexylpyrimidin-1-ium-2-one
CID 21828724

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2H-pyrimidine-1-carboxamide (CID 140574592) is N-cyclohexyl-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2H-pyrimidine-1-carboxamide is O=C(NC1CCCCC1)N1C=CC=NC1.
What is the InChIKey of N-cyclohexyl-2H-pyrimidine-1-carboxamide?
The InChIKey is GWPQGXSTTQUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(14-8-4-7-12-9-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15).
What are the key properties of N-cyclohexyl-2H-pyrimidine-1-carboxamide?
N-cyclohexyl-2H-pyrimidine-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).