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

C19H18N4O — CID 109265476

IUPAC2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(C)c3)nc2)c1
InChIInChI=1S/C19H18N4O/c1-13-5-3-7-16(9-13)22-18(24)15-11-20-19(21-12-15)23-17-8-4-6-14(2)10-17/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyRDQRXGSGMLTGFV-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

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

2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265476) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265476
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(C)c3)nc2)c1
InChIInChI=1S/C19H18N4O/c1-13-5-3-7-16(9-13)22-18(24)15-11-20-19(21-12-15)23-17-8-4-6-14(2)10-17/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyRDQRXGSGMLTGFV-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

N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265600

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109265476) is 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cccc(C)c3)nc2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RDQRXGSGMLTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-5-3-7-16(9-13)22-18(24)15-11-20-19(21-12-15)23-17-8-4-6-14(2)10-17/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-(3-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-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).