[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine

C11H19N5 — CID 79666220

IUPAC[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine
SMILESCN1CCN(C)C(c2nccc(CN)n2)C1
InChIInChI=1S/C11H19N5/c1-15-5-6-16(2)10(8-15)11-13-4-3-9(7-12)14-11/h3-4,10H,5-8,12H2,1-2H3
InChIKeyKPQHXIGGQSWILN-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.15
Rot. Bonds2

About [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine

[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine (PubChem CID 79666220) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine
PubChem CID79666220
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine
SMILESCN1CCN(C)C(c2nccc(CN)n2)C1
InChIInChI=1S/C11H19N5/c1-15-5-6-16(2)10(8-15)11-13-4-3-9(7-12)14-11/h3-4,10H,5-8,12H2,1-2H3
InChIKeyKPQHXIGGQSWILN-UHFFFAOYSA-N
XLogP-0.15
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine (CID 79666220) is [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine is CN1CCN(C)C(c2nccc(CN)n2)C1.
What is the InChIKey of [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine?
The InChIKey is KPQHXIGGQSWILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-5-6-16(2)10(8-15)11-13-4-3-9(7-12)14-11/h3-4,10H,5-8,12H2,1-2H3.
What are the key properties of [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine?
[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine has a molecular weight of 221.31 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 79666220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).