[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine

C11H19N5 — CID 105478159

IUPAC[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
SMILESCN1CCN(Cc2nccc(CN)n2)CC1
InChIInChI=1S/C11H19N5/c1-15-4-6-16(7-5-15)9-11-13-3-2-10(8-12)14-11/h2-3H,4-9,12H2,1H3
InChIKeyFFIYOAARDMXVJC-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.32
Rot. Bonds3

About [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine

[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine (PubChem CID 105478159) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
PubChem CID105478159
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
SMILESCN1CCN(Cc2nccc(CN)n2)CC1
InChIInChI=1S/C11H19N5/c1-15-4-6-16(7-5-15)9-11-13-3-2-10(8-12)14-11/h2-3H,4-9,12H2,1H3
InChIKeyFFIYOAARDMXVJC-UHFFFAOYSA-N
XLogP-0.32
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine (CID 105478159) is [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine is CN1CCN(Cc2nccc(CN)n2)CC1.
What is the InChIKey of [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine?
The InChIKey is FFIYOAARDMXVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-4-6-16(7-5-15)9-11-13-3-2-10(8-12)14-11/h2-3H,4-9,12H2,1H3.
What are the key properties of [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine?
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine has a molecular weight of 221.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 105478159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).