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

C19H18N4O2 — CID 109265216

IUPAC2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C19H18N4O2/c1-13-8-9-17(25-2)16(10-13)23-18(24)14-11-20-19(21-12-14)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyZAVIVPQPTNHPEK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

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

2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265216) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265216
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C19H18N4O2/c1-13-8-9-17(25-2)16(10-13)23-18(24)14-11-20-19(21-12-14)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyZAVIVPQPTNHPEK-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109269822
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
N-(3,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109266866
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109266557
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268180
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400
2-[3-(dimethylamino)propylamino]-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109253589
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109269412

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide (CID 109265216) is 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ZAVIVPQPTNHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-8-9-17(25-2)16(10-13)23-18(24)14-11-20-19(21-12-14)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).