5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine

C19H15FN6 — CID 59588148

IUPAC5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine
SMILESCn1cnnc1-c1ccc(Nc2ncc(F)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15FN6/c1-26-12-22-25-18(26)14-7-9-15(10-8-14)23-19-21-11-16(20)17(24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23,24)
InChIKeyGESUOTJUSWPTAA-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.82
Rot. Bonds4

About 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine

5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine (PubChem CID 59588148) has the molecular formula C19H15FN6 and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine
PubChem CID59588148
Molecular FormulaC19H15FN6
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC Name5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine
SMILESCn1cnnc1-c1ccc(Nc2ncc(F)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15FN6/c1-26-12-22-25-18(26)14-7-9-15(10-8-14)23-19-21-11-16(20)17(24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23,24)
InChIKeyGESUOTJUSWPTAA-UHFFFAOYSA-N
XLogP3.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
2,4-Disubstituted Pyrimidine 2c
CID 5329416
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365
Pyrazolo[1,5-b]pyridazine deriv. 24
CID 6539366
Pyrazolo[1,5-b]pyridazine deriv. 28
CID 6539370

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine (CID 59588148) is 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine is Cn1cnnc1-c1ccc(Nc2ncc(F)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine?
The InChIKey is GESUOTJUSWPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6/c1-26-12-22-25-18(26)14-7-9-15(10-8-14)23-19-21-11-16(20)17(24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23,24).
What are the key properties of 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine?
5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine has a molecular weight of 346.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 59588148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).