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

C15H19N5 — CID 82514499

IUPAC[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H19N5/c16-12-13-3-1-4-14(11-13)19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12,16H2
InChIKeyRCPAVAGODAXECV-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.26
Rot. Bonds3

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

[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (PubChem CID 82514499) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
PubChem CID82514499
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H19N5/c16-12-13-3-1-4-14(11-13)19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12,16H2
InChIKeyRCPAVAGODAXECV-UHFFFAOYSA-N
XLogP1.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 102813357
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62300156
[3-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethynyl]phenyl]methanamine
CID 174553057
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84670926
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769

Frequently Asked Questions

What is the IUPAC name of [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (CID 82514499) is [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is NCc1cccc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is RCPAVAGODAXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-12-13-3-1-4-14(11-13)19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12,16H2.
What are the key properties of [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 82514499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).