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

C19H18N4O — CID 109265378

IUPAC2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccccc3C)nc2)c1
InChIInChI=1S/C19H18N4O/c1-13-6-5-8-16(10-13)22-18(24)15-11-20-19(21-12-15)23-17-9-4-3-7-14(17)2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyYRESJEYTDWVMKI-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

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

2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265378) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265378
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccccc3C)nc2)c1
InChIInChI=1S/C19H18N4O/c1-13-6-5-8-16(10-13)22-18(24)15-11-20-19(21-12-15)23-17-9-4-3-7-14(17)2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyYRESJEYTDWVMKI-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109265491
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
N-(3-chloro-4-fluorophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265409
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109265378) is 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3ccccc3C)nc2)c1.
What is the InChIKey of 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is YRESJEYTDWVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-6-5-8-16(10-13)22-18(24)15-11-20-19(21-12-15)23-17-9-4-3-7-14(17)2/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).