6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide

C13H13N3O2 — CID 121167293

IUPAC6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(C)c2)ncn1
InChIInChI=1S/C13H13N3O2/c1-9-4-3-5-10(6-9)16-13(17)11-7-12(18-2)15-8-14-11/h3-8H,1-2H3,(H,16,17)
InChIKeyHIJRXSZZNJXAMO-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.05
Rot. Bonds3

About 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 121167293) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID121167293
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(C)c2)ncn1
InChIInChI=1S/C13H13N3O2/c1-9-4-3-5-10(6-9)16-13(17)11-7-12(18-2)15-8-14-11/h3-8H,1-2H3,(H,16,17)
InChIKeyHIJRXSZZNJXAMO-UHFFFAOYSA-N
XLogP2.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
methyl 2-[[6-[(3-methylphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109356166
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 53337924
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167387
N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109356120

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 121167293) is 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2cccc(C)c2)ncn1.
What is the InChIKey of 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HIJRXSZZNJXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-3-5-10(6-9)16-13(17)11-7-12(18-2)15-8-14-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).