[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine

C15H18FN5 — CID 102813357

IUPAC[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1cc(F)cc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H18FN5/c16-13-8-12(11-17)9-14(10-13)20-4-6-21(7-5-20)15-18-2-1-3-19-15/h1-3,8-10H,4-7,11,17H2
InChIKeyPREPDJRIBADXPN-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.40
Rot. Bonds3

About [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine

[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (PubChem CID 102813357) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
PubChem CID102813357
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1cc(F)cc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H18FN5/c16-13-8-12(11-17)9-14(10-13)20-4-6-21(7-5-20)15-18-2-1-3-19-15/h1-3,8-10H,4-7,11,17H2
InChIKeyPREPDJRIBADXPN-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499
1-[4-[3-(aminomethyl)-5-fluorophenyl]piperazin-1-yl]ethanone
CID 102813334
1-[4-[3-(aminomethyl)-5-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 102813773
1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
CID 102813342
4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
CID 102813310
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
CID 105388828
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
CID 102814339
[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 106529651
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (CID 102813357) is [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is NCc1cc(F)cc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is PREPDJRIBADXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-13-8-12(11-17)9-14(10-13)20-4-6-21(7-5-20)15-18-2-1-3-19-15/h1-3,8-10H,4-7,11,17H2.
What are the key properties of [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 287.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 102813357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).