4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C12H19N3O — CID 136957350

IUPAC4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(C)CC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8-4-9(2)7-15(6-8)11-5-12(16)14-10(3)13-11/h5,8-9H,4,6-7H2,1-3H3,(H,13,14,16)
InChIKeyUWHBKYSULBTIHB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957350) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957350
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(C)CC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8-4-9(2)7-15(6-8)11-5-12(16)14-10(3)13-11/h5,8-9H,4,6-7H2,1-3H3,(H,13,14,16)
InChIKeyUWHBKYSULBTIHB-UHFFFAOYSA-N
XLogP1.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
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
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136957350) is 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC(C)CC(C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UWHBKYSULBTIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-9(2)7-15(6-8)11-5-12(16)14-10(3)13-11/h5,8-9H,4,6-7H2,1-3H3,(H,13,14,16).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).