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

C12H19N3O — CID 166901181

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C12H19N3O/c1-9(2)10-4-7-15(8-5-10)12-13-6-3-11(16)14-12/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,13,14,16)
InChIKeyPAQXAVCTMYXHGM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds2

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

2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 166901181) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID166901181
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C12H19N3O/c1-9(2)10-4-7-15(8-5-10)12-13-6-3-11(16)14-12/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,13,14,16)
InChIKeyPAQXAVCTMYXHGM-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 166901181) is 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is CC(C)C1CCN(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PAQXAVCTMYXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)10-4-7-15(8-5-10)12-13-6-3-11(16)14-12/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 166901181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).