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

C19H17ClN4O — CID 109265600

IUPACN-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)c1
InChIInChI=1S/C19H17ClN4O/c1-12-5-3-6-15(9-12)23-19-21-10-14(11-22-19)18(25)24-17-8-4-7-16(20)13(17)2/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyMIWKJYAFGAKEDQ-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109265600) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID109265600
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)c1
InChIInChI=1S/C19H17ClN4O/c1-12-5-3-6-15(9-12)23-19-21-10-14(11-22-19)18(25)24-17-8-4-7-16(20)13(17)2/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyMIWKJYAFGAKEDQ-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
2-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide (CID 109265600) is N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is MIWKJYAFGAKEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-5-3-6-15(9-12)23-19-21-10-14(11-22-19)18(25)24-17-8-4-7-16(20)13(17)2/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).