6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

C18H15ClN4O — CID 109348697

IUPAC6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H15ClN4O/c19-14-8-6-13(7-9-14)11-20-17-10-16(21-12-22-17)18(24)23-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,23,24)(H,20,21,22)
InChIKeyCWFNKVSADVSQMF-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109348697) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109348697
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H15ClN4O/c19-14-8-6-13(7-9-14)11-20-17-10-16(21-12-22-17)18(24)23-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,23,24)(H,20,21,22)
InChIKeyCWFNKVSADVSQMF-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (CID 109348697) is 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1cc(NCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is CWFNKVSADVSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-8-6-13(7-9-14)11-20-17-10-16(21-12-22-17)18(24)23-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,23,24)(H,20,21,22).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109348697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).