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

C21H22N4O — CID 109266758

IUPAC2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(C)c(C)c3)nc2)c1
InChIInChI=1S/C21H22N4O/c1-13-7-14(2)9-19(8-13)24-20(26)17-11-22-21(23-12-17)25-18-6-5-15(3)16(4)10-18/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyNSBGXUSIEJQKFW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds4

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

2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266758) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266758
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(C)c(C)c3)nc2)c1
InChIInChI=1S/C21H22N4O/c1-13-7-14(2)9-19(8-13)24-20(26)17-11-22-21(23-12-17)25-18-6-5-15(3)16(4)10-18/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyNSBGXUSIEJQKFW-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(4-tert-butylphenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266770
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(1,3-benzodioxol-5-ylamino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266736
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266758) is 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(C)c(C)c3)nc2)c1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is NSBGXUSIEJQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-7-14(2)9-19(8-13)24-20(26)17-11-22-21(23-12-17)25-18-6-5-15(3)16(4)10-18/h5-12H,1-4H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).