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

C15H18BrN3O2 — CID 114681402

IUPAC7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCC1O
InChIInChI=1S/C15H18BrN3O2/c1-10-7-18(5-4-13(10)20)9-12-6-15(21)19-8-11(16)2-3-14(19)17-12/h2-3,6,8,10,13,20H,4-5,7,9H2,1H3
InChIKeyZMOMIGFSQUBRGT-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.66
Rot. Bonds2

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

7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 114681402) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID114681402
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCC1O
InChIInChI=1S/C15H18BrN3O2/c1-10-7-18(5-4-13(10)20)9-12-6-15(21)19-8-11(16)2-3-14(19)17-12/h2-3,6,8,10,13,20H,4-5,7,9H2,1H3
InChIKeyZMOMIGFSQUBRGT-UHFFFAOYSA-N
XLogP1.66
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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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Related Compounds

2-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 102977333
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 62063779
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 103577216
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclopropanecarboxylate
CID 7863227
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 114681402) is 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCC1O.
What is the InChIKey of 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZMOMIGFSQUBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-7-18(5-4-13(10)20)9-12-6-15(21)19-8-11(16)2-3-14(19)17-12/h2-3,6,8,10,13,20H,4-5,7,9H2,1H3.
What are the key properties of 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 114681402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).