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

C12H19N3O — CID 136731878

IUPAC4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H19N3O/c1-9(2)10-3-5-15(6-4-10)11-7-12(16)14-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyTYCALQUFVDFPBO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds2

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

4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136731878) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136731878
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H19N3O/c1-9(2)10-3-5-15(6-4-10)11-7-12(16)14-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyTYCALQUFVDFPBO-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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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
6-[3-(Fluoromethyl)piperidin-1-yl]-3-methyl-3,4-dihydropyrimidin-4-one
CID 172881015
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
6-Amino-2-(3-methyl-1-piperidinyl)-4(3H)-pyrimidinone
CID 135646473
4-(4-piperidin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136205542
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136731878) is 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is CC(C)C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is TYCALQUFVDFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)10-3-5-15(6-4-10)11-7-12(16)14-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(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 4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136731878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).