3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one

C15H25N3O2 — CID 75501751

IUPAC3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(O)CN2CCC(C)CC2)c(=O)c1C
InChIInChI=1S/C15H25N3O2/c1-11-4-6-17(7-5-11)8-14(19)9-18-10-16-13(3)12(2)15(18)20/h10-11,14,19H,4-9H2,1-3H3
InChIKeyRPLBBVHAYRDQBI-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.95
Rot. Bonds4

About 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 75501751) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one
PubChem CID75501751
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(O)CN2CCC(C)CC2)c(=O)c1C
InChIInChI=1S/C15H25N3O2/c1-11-4-6-17(7-5-11)8-14(19)9-18-10-16-13(3)12(2)15(18)20/h10-11,14,19H,4-9H2,1-3H3
InChIKeyRPLBBVHAYRDQBI-UHFFFAOYSA-N
XLogP0.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one (CID 75501751) is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC(O)CN2CCC(C)CC2)c(=O)c1C.
What is the InChIKey of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is RPLBBVHAYRDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-4-6-17(7-5-11)8-14(19)9-18-10-16-13(3)12(2)15(18)20/h10-11,14,19H,4-9H2,1-3H3.
What are the key properties of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one?
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 279.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 75501751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).