6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C17H16FN5O2 — CID 109369846

IUPAC6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccc(F)cc2)cc(C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C17H16FN5O2/c1-10-7-16(23-25-10)22-17(24)14-8-15(21-11(2)20-14)19-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyYFZCDRGREKOFLP-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.08
Rot. Bonds5

About 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109369846) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109369846
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccc(F)cc2)cc(C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C17H16FN5O2/c1-10-7-16(23-25-10)22-17(24)14-8-15(21-11(2)20-14)19-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyYFZCDRGREKOFLP-UHFFFAOYSA-N
XLogP3.08
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369791
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369822
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369835
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112847653
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109369846) is 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is Cc1nc(NCc2ccc(F)cc2)cc(C(=O)Nc2cc(C)on2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is YFZCDRGREKOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-10-7-16(23-25-10)22-17(24)14-8-15(21-11(2)20-14)19-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,19,20,21)(H,22,23,24).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).