4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one

C9H16N4O — CID 130245286

IUPAC4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one
SMILESCC1C=NC(N2CCNC(=O)C2)NC1
InChIInChI=1S/C9H16N4O/c1-7-4-11-9(12-5-7)13-3-2-10-8(14)6-13/h4,7,9,12H,2-3,5-6H2,1H3,(H,10,14)
InChIKeyIOZDOWPABTVBOD-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.99
Rot. Bonds1

About 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one

4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one (PubChem CID 130245286) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one
PubChem CID130245286
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one
SMILESCC1C=NC(N2CCNC(=O)C2)NC1
InChIInChI=1S/C9H16N4O/c1-7-4-11-9(12-5-7)13-3-2-10-8(14)6-13/h4,7,9,12H,2-3,5-6H2,1H3,(H,10,14)
InChIKeyIOZDOWPABTVBOD-UHFFFAOYSA-N
XLogP-0.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-Methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 130244789
4-[2-(Ethylideneamino)propan-2-yl]piperazin-2-one
CID 173733053

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one?
The IUPAC name of 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one (CID 130245286) is 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one is CC1C=NC(N2CCNC(=O)C2)NC1.
What is the InChIKey of 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one?
The InChIKey is IOZDOWPABTVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-4-11-9(12-5-7)13-3-2-10-8(14)6-13/h4,7,9,12H,2-3,5-6H2,1H3,(H,10,14).
What are the key properties of 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one?
4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-2-one is sourced from PubChem (CID 130245286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).