4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide

C18H14ClFN4O — CID 53367490

IUPAC4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESNc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-12(15)9-23-18(25)14-10-22-17(24-16(14)21)11-5-7-13(20)8-6-11/h1-8,10H,9H2,(H,23,25)(H2,21,22,24)
InChIKeyUKPJYGLPVMGKLP-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.45
Rot. Bonds4

About 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide

4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 53367490) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID53367490
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESNc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-12(15)9-23-18(25)14-10-22-17(24-16(14)21)11-5-7-13(20)8-6-11/h1-8,10H,9H2,(H,23,25)(H2,21,22,24)
InChIKeyUKPJYGLPVMGKLP-UHFFFAOYSA-N
XLogP3.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide (CID 53367490) is 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide is Nc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is UKPJYGLPVMGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-12(15)9-23-18(25)14-10-22-17(24-16(14)21)11-5-7-13(20)8-6-11/h1-8,10H,9H2,(H,23,25)(H2,21,22,24).
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide?
4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53367490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).