2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C32H25F3N14 — CID 159003023

IUPAC2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(F)nc(F)n1.Cc1cc(Nc2nc(-c3ccccc3)cc3ncnn23)nc(F)n1.Nc1nc(-c2ccccc2)cc2ncnn12
InChIInChI=1S/C16H12FN7.C11H9N5.C5H4F2N2/c1-10-7-13(22-15(17)20-10)23-16-21-12(11-5-3-2-4-6-11)8-14-18-9-19-24(14)16;12-11-15-9(8-4-2-1-3-5-8)6-10-13-7-14-16(10)11;1-3-2-4(6)9-5(7)8-3/h2-9H,1H3,(H,20,21,22,23);1-7H,(H2,12,15);2H,1H3
InChIKeyJROMKOPQXWSBJT-UHFFFAOYSA-N
MW662.64 g/mol
LogP5.21
Rot. Bonds4

About 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 159003023) has the molecular formula C32H25F3N14 and a molecular weight of 662.64 g/mol. Its IUPAC name is 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID159003023
Molecular FormulaC32H25F3N14
Molecular Weight662.64 g/mol
Exact Mass662.23
IUPAC Name2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(F)nc(F)n1.Cc1cc(Nc2nc(-c3ccccc3)cc3ncnn23)nc(F)n1.Nc1nc(-c2ccccc2)cc2ncnn12
InChIInChI=1S/C16H12FN7.C11H9N5.C5H4F2N2/c1-10-7-13(22-15(17)20-10)23-16-21-12(11-5-3-2-4-6-11)8-14-18-9-19-24(14)16;12-11-15-9(8-4-2-1-3-5-8)6-10-13-7-14-16(10)11;1-3-2-4(6)9-5(7)8-3/h2-9H,1H3,(H,20,21,22,23);1-7H,(H2,12,15);2H,1H3
InChIKeyJROMKOPQXWSBJT-UHFFFAOYSA-N
XLogP5.21
TPSA175.77 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500662.64
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(1R)-1-phenylethyl]-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine
CID 11697172
3-nitroso-6-N-[2-[[7-(3-pyrrolidin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,6-diamine
CID 88948157
1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine
CID 143163967
4-fluoro-2-methyl-6-phenylpyridine
CID 131074497
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764
7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
CID 745901
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-methyl-4,6-diphenylpyridine
CID 618669

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 159003023) is 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(F)nc(F)n1.Cc1cc(Nc2nc(-c3ccccc3)cc3ncnn23)nc(F)n1.Nc1nc(-c2ccccc2)cc2ncnn12.
What is the InChIKey of 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JROMKOPQXWSBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7.C11H9N5.C5H4F2N2/c1-10-7-13(22-15(17)20-10)23-16-21-12(11-5-3-2-4-6-11)8-14-18-9-19-24(14)16;12-11-15-9(8-4-2-1-3-5-8)6-10-13-7-14-16(10)11;1-3-2-4(6)9-5(7)8-3/h2-9H,1H3,(H,20,21,22,23);1-7H,(H2,12,15);2H,1H3.
What are the key properties of 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 662.64 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methylpyrimidine;N-(2-fluoro-6-methylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 159003023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).