6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide

C18H14ClFN4O — CID 109348543

IUPAC6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2ccccc2Cl)ncn1
InChIInChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-12(15)10-21-17-9-16(22-11-23-17)18(25)24-14-7-5-13(20)6-8-14/h1-9,11H,10H2,(H,24,25)(H,21,22,23)
InChIKeyBKTBMAFOAFQVJG-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

About 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide

6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109348543) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109348543
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2ccccc2Cl)ncn1
InChIInChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-12(15)10-21-17-9-16(22-11-23-17)18(25)24-14-7-5-13(20)6-8-14/h1-9,11H,10H2,(H,24,25)(H,21,22,23)
InChIKeyBKTBMAFOAFQVJG-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methylamino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109348579
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109348577
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348924
N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide
CID 68553648
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 109348543) is 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCc2ccccc2Cl)ncn1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BKTBMAFOAFQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-12(15)10-21-17-9-16(22-11-23-17)18(25)24-14-7-5-13(20)6-8-14/h1-9,11H,10H2,(H,24,25)(H,21,22,23).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).