5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one

C15H25N3O — CID 126940716

IUPAC5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC(C)C)CC2)c1=O
InChIInChI=1S/C15H25N3O/c1-12(2)9-17-6-4-14(5-7-17)10-18-11-16-8-13(3)15(18)19/h8,11-12,14H,4-7,9-10H2,1-3H3
InChIKeyQMIBZTTVDOJYDF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds4

About 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940716) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940716
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC(C)C)CC2)c1=O
InChIInChI=1S/C15H25N3O/c1-12(2)9-17-6-4-14(5-7-17)10-18-11-16-8-13(3)15(18)19/h8,11-12,14H,4-7,9-10H2,1-3H3
InChIKeyQMIBZTTVDOJYDF-UHFFFAOYSA-N
XLogP1.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940716) is 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CC(C)C)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is QMIBZTTVDOJYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)9-17-6-4-14(5-7-17)10-18-11-16-8-13(3)15(18)19/h8,11-12,14H,4-7,9-10H2,1-3H3.
What are the key properties of 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).