4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one

C13H18N4O — CID 56862045

IUPAC4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one
SMILESCc1cc(C2CCC2)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C13H18N4O/c1-9-7-11(10-3-2-4-10)16-13(15-9)17-6-5-14-12(18)8-17/h7,10H,2-6,8H2,1H3,(H,14,18)
InChIKeyYPNSCPGUZAKBFC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.99
Rot. Bonds2

About 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one

4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one (PubChem CID 56862045) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one
PubChem CID56862045
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one
SMILESCc1cc(C2CCC2)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C13H18N4O/c1-9-7-11(10-3-2-4-10)16-13(15-9)17-6-5-14-12(18)8-17/h7,10H,2-6,8H2,1H3,(H,14,18)
InChIKeyYPNSCPGUZAKBFC-UHFFFAOYSA-N
XLogP0.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one (CID 56862045) is 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one is Cc1cc(C2CCC2)nc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one?
The InChIKey is YPNSCPGUZAKBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-7-11(10-3-2-4-10)16-13(15-9)17-6-5-14-12(18)8-17/h7,10H,2-6,8H2,1H3,(H,14,18).
What are the key properties of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one?
4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)piperazin-2-one is sourced from PubChem (CID 56862045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).