4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one

C14H20N4O — CID 56879526

IUPAC4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one
SMILESCc1cc(C2CCC2)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C14H20N4O/c1-9-8-12(11-4-3-5-11)17-14(16-9)18-7-6-15-13(19)10(18)2/h8,10-11H,3-7H2,1-2H3,(H,15,19)
InChIKeyUDNAABAIXLPQFT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.38
Rot. Bonds2

About 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one

4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one (PubChem CID 56879526) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one
PubChem CID56879526
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one
SMILESCc1cc(C2CCC2)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C14H20N4O/c1-9-8-12(11-4-3-5-11)17-14(16-9)18-7-6-15-13(19)10(18)2/h8,10-11H,3-7H2,1-2H3,(H,15,19)
InChIKeyUDNAABAIXLPQFT-UHFFFAOYSA-N
XLogP1.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.38
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)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one (CID 56879526) is 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one is Cc1cc(C2CCC2)nc(N2CCNC(=O)C2C)n1.
What is the InChIKey of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one?
The InChIKey is UDNAABAIXLPQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-8-12(11-4-3-5-11)17-14(16-9)18-7-6-15-13(19)10(18)2/h8,10-11H,3-7H2,1-2H3,(H,15,19).
What are the key properties of 4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one?
4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.38, 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)-3-methylpiperazin-2-one is sourced from PubChem (CID 56879526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).