[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine

C12H11ClFN3 — CID 82481340

IUPAC[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
SMILESCc1cc(-c2cc(Cl)ccc2F)nc(CN)n1
InChIInChI=1S/C12H11ClFN3/c1-7-4-11(17-12(6-15)16-7)9-5-8(13)2-3-10(9)14/h2-5H,6,15H2,1H3
InChIKeyJRVYDYVZQQIHAW-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.70
Rot. Bonds2

About [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine

[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine (PubChem CID 82481340) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
PubChem CID82481340
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
SMILESCc1cc(-c2cc(Cl)ccc2F)nc(CN)n1
InChIInChI=1S/C12H11ClFN3/c1-7-4-11(17-12(6-15)16-7)9-5-8(13)2-3-10(9)14/h2-5H,6,15H2,1H3
InChIKeyJRVYDYVZQQIHAW-UHFFFAOYSA-N
XLogP2.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine?
The IUPAC name of [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine (CID 82481340) is [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine is Cc1cc(-c2cc(Cl)ccc2F)nc(CN)n1.
What is the InChIKey of [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine?
The InChIKey is JRVYDYVZQQIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-4-11(17-12(6-15)16-7)9-5-8(13)2-3-10(9)14/h2-5H,6,15H2,1H3.
What are the key properties of [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine?
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine has a molecular weight of 251.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine is sourced from PubChem (CID 82481340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).