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

C18H14ClFN4O — CID 109348320

IUPACN-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C18H14ClFN4O/c19-13-3-7-15(8-4-13)24-18(25)16-9-17(23-11-22-16)21-10-12-1-5-14(20)6-2-12/h1-9,11H,10H2,(H,24,25)(H,21,22,23)
InChIKeyOOPXFQOMYCKHSF-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

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

N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348320) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348320
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C18H14ClFN4O/c19-13-3-7-15(8-4-13)24-18(25)16-9-17(23-11-22-16)21-10-12-1-5-14(20)6-2-12/h1-9,11H,10H2,(H,24,25)(H,21,22,23)
InChIKeyOOPXFQOMYCKHSF-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-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide
CID 68553648
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348354
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109348320) is N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is OOPXFQOMYCKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-3-7-15(8-4-13)24-18(25)16-9-17(23-11-22-16)21-10-12-1-5-14(20)6-2-12/h1-9,11H,10H2,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]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 N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).