6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide

C13H19N3O2 — CID 91628503

IUPAC6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCC2C)ncn1
InChIInChI=1S/C13H19N3O2/c1-9-5-3-4-6-10(9)16-13(17)11-7-12(18-2)15-8-14-11/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyRWTNBQNJDBXYQS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds3

About 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide

6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide (PubChem CID 91628503) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
PubChem CID91628503
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCC2C)ncn1
InChIInChI=1S/C13H19N3O2/c1-9-5-3-4-6-10(9)16-13(17)11-7-12(18-2)15-8-14-11/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyRWTNBQNJDBXYQS-UHFFFAOYSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-(3-methyl-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
CID 91628569
3-[(2,6-Dimethoxypyrimidin-4-yl)carbonyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56722831
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565230
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136586480
[4-(Cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138026458
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 164636605
(6-Methoxy-2-piperazin-1-ylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 177658229
N-(cyclopropylmethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177658681

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide (CID 91628503) is 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide is COc1cc(C(=O)NC2CCCCC2C)ncn1.
What is the InChIKey of 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
The InChIKey is RWTNBQNJDBXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-3-4-6-10(9)16-13(17)11-7-12(18-2)15-8-14-11/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).