2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide

C13H13N3O2 — CID 53337924

IUPAC2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C13H13N3O2/c1-9-4-3-5-11(6-9)16-12(17)10-7-14-13(18-2)15-8-10/h3-8H,1-2H3,(H,16,17)
InChIKeySAGFVCCISFQQGK-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.05
Rot. Bonds3

About 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide

2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 53337924) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID53337924
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C13H13N3O2/c1-9-4-3-5-11(6-9)16-12(17)10-7-14-13(18-2)15-8-10/h3-8H,1-2H3,(H,16,17)
InChIKeySAGFVCCISFQQGK-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-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 139482087
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 53337924) is 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide is COc1ncc(C(=O)Nc2cccc(C)c2)cn1.
What is the InChIKey of 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is SAGFVCCISFQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-3-5-11(6-9)16-12(17)10-7-14-13(18-2)15-8-10/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-methoxy-N-(3-methylphenyl)pyrimidine-5-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 2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53337924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).