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

C13H21N3O — CID 136731875

IUPAC2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9(2)11-4-6-16(7-5-11)12-8-13(17)15-10(3)14-12/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyQZPRCBQTFKCGBW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds2

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

2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136731875) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136731875
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9(2)11-4-6-16(7-5-11)12-8-13(17)15-10(3)14-12/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyQZPRCBQTFKCGBW-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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Related Compounds

2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-cyclopropyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009790
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
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
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136731875) is 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCC(C(C)C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QZPRCBQTFKCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)11-4-6-16(7-5-11)12-8-13(17)15-10(3)14-12/h8-9,11H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-methyl-4-(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 2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136731875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).