2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109255924

IUPAC2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-12-3-2-4-13(7-12)9-22-18(26)14-10-23-19(24-11-14)25-17-6-5-15(20)8-16(17)21/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyQTTJPFBUDCJXLL-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.77
Rot. Bonds5

About 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109255924) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109255924
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-12-3-2-4-13(7-12)9-22-18(26)14-10-23-19(24-11-14)25-17-6-5-15(20)8-16(17)21/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyQTTJPFBUDCJXLL-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109255356
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109255870
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109255924) is 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2)c1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is QTTJPFBUDCJXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12-3-2-4-13(7-12)9-22-18(26)14-10-23-19(24-11-14)25-17-6-5-15(20)8-16(17)21/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).