N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide

C19H18N4O2 — CID 109314028

IUPACN-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H18N4O2/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18(24)22-15-5-3-4-6-17(15)25-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyJCCYQSJVTUODEH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide

N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109314028) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109314028
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H18N4O2/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18(24)22-15-5-3-4-6-17(15)25-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyJCCYQSJVTUODEH-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

ethyl 4-[[4-[(2-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317585
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
6-N-(2-methoxyphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100195
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide (CID 109314028) is N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(Nc2ccc(C)cc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is JCCYQSJVTUODEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18(24)22-15-5-3-4-6-17(15)25-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-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 N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).