2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C11H19N5O — CID 136923002

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CCN)CC2)n1
InChIInChI=1S/C11H19N5O/c1-9-8-10(17)14-11(13-9)16-6-4-15(3-2-12)5-7-16/h8H,2-7,12H2,1H3,(H,13,14,17)
InChIKeyOULXTCRPVGAHKW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.84
Rot. Bonds3

About 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136923002) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136923002
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CCN)CC2)n1
InChIInChI=1S/C11H19N5O/c1-9-8-10(17)14-11(13-9)16-6-4-15(3-2-12)5-7-16/h8H,2-7,12H2,1H3,(H,13,14,17)
InChIKeyOULXTCRPVGAHKW-UHFFFAOYSA-N
XLogP-0.84
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 ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 136923002) is 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(CCN)CC2)n1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OULXTCRPVGAHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-8-10(17)14-11(13-9)16-6-4-15(3-2-12)5-7-16/h8H,2-7,12H2,1H3,(H,13,14,17).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136923002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).