4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one

C9H13N5O — CID 80843839

IUPAC4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N)ncn2)CC1=O
InChIInChI=1S/C9H13N5O/c1-13-2-3-14(5-9(13)15)8-4-7(10)11-6-12-8/h4,6H,2-3,5H2,1H3,(H2,10,11,12)
InChIKeyNCCQWKWBNYAEQU-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.66
Rot. Bonds1

About 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one

4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one (PubChem CID 80843839) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
PubChem CID80843839
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N)ncn2)CC1=O
InChIInChI=1S/C9H13N5O/c1-13-2-3-14(5-9(13)15)8-4-7(10)11-6-12-8/h4,6H,2-3,5H2,1H3,(H2,10,11,12)
InChIKeyNCCQWKWBNYAEQU-UHFFFAOYSA-N
XLogP-0.66
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one (CID 80843839) is 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one is CN1CCN(c2cc(N)ncn2)CC1=O.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one?
The InChIKey is NCCQWKWBNYAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-13-2-3-14(5-9(13)15)8-4-7(10)11-6-12-8/h4,6H,2-3,5H2,1H3,(H2,10,11,12).
What are the key properties of 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one?
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one has a molecular weight of 207.24 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 80843839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).