N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide

C20H20N4O — CID 109265774

IUPACN-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1
InChIInChI=1S/C20H20N4O/c1-13-4-6-17(7-5-13)24-20-21-11-16(12-22-20)19(25)23-18-9-14(2)8-15(3)10-18/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyAYCYIKKPGANQLS-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.40
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide

N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109265774) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
PubChem CID109265774
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1
InChIInChI=1S/C20H20N4O/c1-13-4-6-17(7-5-13)24-20-21-11-16(12-22-20)19(25)23-18-9-14(2)8-15(3)10-18/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyAYCYIKKPGANQLS-UHFFFAOYSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide (CID 109265774) is N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is AYCYIKKPGANQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-4-6-17(7-5-13)24-20-21-11-16(12-22-20)19(25)23-18-9-14(2)8-15(3)10-18/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).