6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

C12H20N4O — CID 155002505

IUPAC6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCc1c(N)nc(N2CCC(C)CC2)n(C)c1=O
InChIInChI=1S/C12H20N4O/c1-8-4-6-16(7-5-8)12-14-10(13)9(2)11(17)15(12)3/h8H,4-7,13H2,1-3H3
InChIKeyAJKHLBOEKPVFPX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.91
Rot. Bonds1

About 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (PubChem CID 155002505) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
PubChem CID155002505
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCc1c(N)nc(N2CCC(C)CC2)n(C)c1=O
InChIInChI=1S/C12H20N4O/c1-8-4-6-16(7-5-8)12-14-10(13)9(2)11(17)15(12)3/h8H,4-7,13H2,1-3H3
InChIKeyAJKHLBOEKPVFPX-UHFFFAOYSA-N
XLogP0.91
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The IUPAC name of 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (CID 155002505) is 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The canonical SMILES for 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is Cc1c(N)nc(N2CCC(C)CC2)n(C)c1=O.
What is the InChIKey of 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The InChIKey is AJKHLBOEKPVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-6-16(7-5-8)12-14-10(13)9(2)11(17)15(12)3/h8H,4-7,13H2,1-3H3.
What are the key properties of 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 155002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).