5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H19N5O — CID 83852657

IUPAC5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(CCN)c(=O)[nH]2)CC1
InChIInChI=1S/C11H19N5O/c1-15-4-6-16(7-5-15)11-13-8-9(2-3-12)10(17)14-11/h8H,2-7,12H2,1H3,(H,13,14,17)
InChIKeyLRVUCZBDISCTPQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.98
Rot. Bonds3

About 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 83852657) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID83852657
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(CCN)c(=O)[nH]2)CC1
InChIInChI=1S/C11H19N5O/c1-15-4-6-16(7-5-15)11-13-8-9(2-3-12)10(17)14-11/h8H,2-7,12H2,1H3,(H,13,14,17)
InChIKeyLRVUCZBDISCTPQ-UHFFFAOYSA-N
XLogP-0.98
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 83852657) is 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2ncc(CCN)c(=O)[nH]2)CC1.
What is the InChIKey of 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LRVUCZBDISCTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-4-6-16(7-5-15)11-13-8-9(2-3-12)10(17)14-11/h8H,2-7,12H2,1H3,(H,13,14,17).
What are the key properties of 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 83852657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).