6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C13H13N3O3 — CID 121167255

IUPAC6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(OC)ncn2)cc1
InChIInChI=1S/C13H13N3O3/c1-18-10-5-3-9(4-6-10)16-13(17)11-7-12(19-2)15-8-14-11/h3-8H,1-2H3,(H,16,17)
InChIKeyLBJFBBFJIPCTGJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.75
Rot. Bonds4

About 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 121167255) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID121167255
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(OC)ncn2)cc1
InChIInChI=1S/C13H13N3O3/c1-18-10-5-3-9(4-6-10)16-13(17)11-7-12(19-2)15-8-14-11/h3-8H,1-2H3,(H,16,17)
InChIKeyLBJFBBFJIPCTGJ-UHFFFAOYSA-N
XLogP1.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
6-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]pyrimidine-4-carboxamide
CID 121167435
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 121167255) is 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(OC)ncn2)cc1.
What is the InChIKey of 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is LBJFBBFJIPCTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-10-5-3-9(4-6-10)16-13(17)11-7-12(19-2)15-8-14-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).