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

C14H17FN6 — CID 105388828

IUPAC[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCN(c3ncccn3)CC2)c1F
InChIInChI=1S/C14H17FN6/c15-12-11(10-16)2-5-17-13(12)20-6-8-21(9-7-20)14-18-3-1-4-19-14/h1-5H,6-10,16H2
InChIKeyIDSICCLXIOGHMH-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.80
Rot. Bonds3

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

[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine (PubChem CID 105388828) has the molecular formula C14H17FN6 and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
PubChem CID105388828
Molecular FormulaC14H17FN6
Molecular Weight288.33 g/mol
Exact Mass288.15
IUPAC Name[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCN(c3ncccn3)CC2)c1F
InChIInChI=1S/C14H17FN6/c15-12-11(10-16)2-5-17-13(12)20-6-8-21(9-7-20)14-18-3-1-4-19-14/h1-5H,6-10,16H2
InChIKeyIDSICCLXIOGHMH-UHFFFAOYSA-N
XLogP0.80
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine (CID 105388828) is [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine is NCc1ccnc(N2CCN(c3ncccn3)CC2)c1F.
What is the InChIKey of [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is IDSICCLXIOGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6/c15-12-11(10-16)2-5-17-13(12)20-6-8-21(9-7-20)14-18-3-1-4-19-14/h1-5H,6-10,16H2.
What are the key properties of [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine?
[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 288.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 105388828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).