4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

C13H21N3O — CID 166901176

IUPAC4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)11-4-6-16(7-5-11)13-14-10(3)8-12(17)15-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyPOXHPVUBYJLOQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds2

About 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 166901176) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID166901176
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)11-4-6-16(7-5-11)13-14-10(3)8-12(17)15-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyPOXHPVUBYJLOQZ-UHFFFAOYSA-N
XLogP1.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 166901176) is 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCC(C(C)C)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is POXHPVUBYJLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)11-4-6-16(7-5-11)13-14-10(3)8-12(17)15-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 166901176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).