N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide

C12H17N3O — CID 89463708

IUPACN-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide
SMILESC=C1N=CC(C(=O)NC2CCCCC2)=CN1
InChIInChI=1S/C12H17N3O/c1-9-13-7-10(8-14-9)12(16)15-11-5-3-2-4-6-11/h7-8,11,13H,1-6H2,(H,15,16)
InChIKeyWENMCPWNDPZXJM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.46
Rot. Bonds2

About N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide

N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide (PubChem CID 89463708) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide
PubChem CID89463708
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide
SMILESC=C1N=CC(C(=O)NC2CCCCC2)=CN1
InChIInChI=1S/C12H17N3O/c1-9-13-7-10(8-14-9)12(16)15-11-5-3-2-4-6-11/h7-8,11,13H,1-6H2,(H,15,16)
InChIKeyWENMCPWNDPZXJM-UHFFFAOYSA-N
XLogP1.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136599328
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-amino-N-cyclooctylpyrazine-2-carboxamide
CID 113381836
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide (CID 89463708) is N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide is C=C1N=CC(C(=O)NC2CCCCC2)=CN1.
What is the InChIKey of N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide?
The InChIKey is WENMCPWNDPZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-13-7-10(8-14-9)12(16)15-11-5-3-2-4-6-11/h7-8,11,13H,1-6H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide?
N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 89463708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).