6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide

C18H16N4O — CID 109355799

IUPAC6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)21-17-11-16(19-12-20-17)18(23)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChIKeyDDZVXQWDRHBHRR-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide

6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355799) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355799
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)21-17-11-16(19-12-20-17)18(23)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChIKeyDDZVXQWDRHBHRR-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355799) is 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1.
What is the InChIKey of 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is DDZVXQWDRHBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)21-17-11-16(19-12-20-17)18(23)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).