[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine

C12H12FN3 — CID 28908693

IUPAC[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3/c1-8-15-11(7-14)6-12(16-8)9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3
InChIKeyJYLDXCMCBYHKRY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.05
Rot. Bonds2

About [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine

[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine (PubChem CID 28908693) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
PubChem CID28908693
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3/c1-8-15-11(7-14)6-12(16-8)9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3
InChIKeyJYLDXCMCBYHKRY-UHFFFAOYSA-N
XLogP2.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine (CID 28908693) is [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine is Cc1nc(CN)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine?
The InChIKey is JYLDXCMCBYHKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-15-11(7-14)6-12(16-8)9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine?
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine has a molecular weight of 217.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 28908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).