N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide

C20H20N4O2 — CID 109266557

IUPACN-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-5-14(2)18(10-13)24-19(25)15-11-21-20(22-12-15)23-16-6-8-17(26-3)9-7-16/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyVZVPLBVKGPKRKQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide

N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109266557) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109266557
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-5-14(2)18(10-13)24-19(25)15-11-21-20(22-12-15)23-16-6-8-17(26-3)9-7-16/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyVZVPLBVKGPKRKQ-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,5-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108274
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109265216
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268208
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
ethyl 4-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266662

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide (CID 109266557) is N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(=O)Nc3cc(C)ccc3C)cn2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is VZVPLBVKGPKRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-5-14(2)18(10-13)24-19(25)15-11-21-20(22-12-15)23-16-6-8-17(26-3)9-7-16/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).