7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H18BrN3O2 — CID 60638833

IUPAC7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2ccc(Br)cn12
InChIInChI=1S/C15H18BrN3O2/c16-12-3-4-14-17-13(6-15(21)19(14)8-12)9-18-5-1-2-11(7-18)10-20/h3-4,6,8,11,20H,1-2,5,7,9-10H2
InChIKeyZOBRWKSKHLJLML-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.66
Rot. Bonds3

About 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60638833) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60638833
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2ccc(Br)cn12
InChIInChI=1S/C15H18BrN3O2/c16-12-3-4-14-17-13(6-15(21)19(14)8-12)9-18-5-1-2-11(7-18)10-20/h3-4,6,8,11,20H,1-2,5,7,9-10H2
InChIKeyZOBRWKSKHLJLML-UHFFFAOYSA-N
XLogP1.66
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60638833) is 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCC(CO)C2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZOBRWKSKHLJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-12-3-4-14-17-13(6-15(21)19(14)8-12)9-18-5-1-2-11(7-18)10-20/h3-4,6,8,11,20H,1-2,5,7,9-10H2.
What are the key properties of 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60638833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).