6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide

C19H18N4O — CID 109355806

IUPAC6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C19H18N4O/c1-13-8-14(2)10-16(9-13)22-18-11-17(20-12-21-18)19(24)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLIANNXPXLZUVHN-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

About 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide

6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355806) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355806
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C19H18N4O/c1-13-8-14(2)10-16(9-13)22-18-11-17(20-12-21-18)19(24)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLIANNXPXLZUVHN-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772
6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355880
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355806) is 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1.
What is the InChIKey of 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is LIANNXPXLZUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-8-14(2)10-16(9-13)22-18-11-17(20-12-21-18)19(24)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).