6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide

C17H12Cl2N4O — CID 109355880

IUPAC6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Nc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C17H12Cl2N4O/c18-11-6-7-14(13(19)8-11)23-16-9-15(20-10-21-16)17(24)22-12-4-2-1-3-5-12/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyZLJPRYZWPGTSPS-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.78
Rot. Bonds4

About 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide

6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355880) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355880
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Nc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C17H12Cl2N4O/c18-11-6-7-14(13(19)8-11)23-16-9-15(20-10-21-16)17(24)22-12-4-2-1-3-5-12/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyZLJPRYZWPGTSPS-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
methyl 4-[[6-(2-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358072
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347616

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355880) is 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1cc(Nc2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is ZLJPRYZWPGTSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-11-6-7-14(13(19)8-11)23-16-9-15(20-10-21-16)17(24)22-12-4-2-1-3-5-12/h1-10H,(H,22,24)(H,20,21,23).
What are the key properties of 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide?
6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).