5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one

C13H21N3O — CID 84698894

IUPAC5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1cnc(C2CCCNC2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-9(2)6-11-8-15-12(16-13(11)17)10-4-3-5-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMFWLLZGBQWCXAB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds3

About 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one

5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 84698894) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID84698894
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1cnc(C2CCCNC2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-9(2)6-11-8-15-12(16-13(11)17)10-4-3-5-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMFWLLZGBQWCXAB-UHFFFAOYSA-N
XLogP1.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
6-Amino-2-methyl-5-(2-(piperidin-4-YL)ethyl)pyrimidin-4-OL
CID 137133023
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
CID 144923588
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
2,5-dipropyl-1H-pyrimidin-6-one
CID 165101826

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one (CID 84698894) is 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one is CC(C)Cc1cnc(C2CCCNC2)[nH]c1=O.
What is the InChIKey of 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is MFWLLZGBQWCXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)6-11-8-15-12(16-13(11)17)10-4-3-5-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one?
5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84698894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).