6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one

C9H15N5O — CID 175603018

IUPAC6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCNCC2)nc(N)cc1=O
InChIInChI=1S/C9H15N5O/c1-13-8(15)6-7(10)12-9(13)14-4-2-11-3-5-14/h6,11H,2-5,10H2,1H3
InChIKeyKHMPMEXXIWKDKP-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.23
Rot. Bonds1

About 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one

6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one (PubChem CID 175603018) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one
PubChem CID175603018
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCNCC2)nc(N)cc1=O
InChIInChI=1S/C9H15N5O/c1-13-8(15)6-7(10)12-9(13)14-4-2-11-3-5-14/h6,11H,2-5,10H2,1H3
InChIKeyKHMPMEXXIWKDKP-UHFFFAOYSA-N
XLogP-1.23
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one (CID 175603018) is 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one is Cn1c(N2CCNCC2)nc(N)cc1=O.
What is the InChIKey of 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The InChIKey is KHMPMEXXIWKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-8(15)6-7(10)12-9(13)14-4-2-11-3-5-14/h6,11H,2-5,10H2,1H3.
What are the key properties of 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 175603018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).