2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one

C11H19N5O — CID 166465110

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1c(N2CCN(CCN)CC2)nccc1=O
InChIInChI=1S/C11H19N5O/c1-14-10(17)2-4-13-11(14)16-8-6-15(5-3-12)7-9-16/h2,4H,3,5-9,12H2,1H3
InChIKeyOALKMCJDHJJTBE-UHFFFAOYSA-N
MW237.31 g/mol
LogP-1.14
Rot. Bonds3

About 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one

2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one (PubChem CID 166465110) 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]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one
PubChem CID166465110
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1c(N2CCN(CCN)CC2)nccc1=O
InChIInChI=1S/C11H19N5O/c1-14-10(17)2-4-13-11(14)16-8-6-15(5-3-12)7-9-16/h2,4H,3,5-9,12H2,1H3
InChIKeyOALKMCJDHJJTBE-UHFFFAOYSA-N
XLogP-1.14
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one (CID 166465110) is 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one is Cn1c(N2CCN(CCN)CC2)nccc1=O.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
The InChIKey is OALKMCJDHJJTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-14-10(17)2-4-13-11(14)16-8-6-15(5-3-12)7-9-16/h2,4H,3,5-9,12H2,1H3.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one has a molecular weight of 237.31 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 166465110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).