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

C9H7BrN2O2 — CID 16769119

IUPAC7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CO)nc2ccc(Br)cn12
InChIInChI=1S/C9H7BrN2O2/c10-6-1-2-8-11-7(5-13)3-9(14)12(8)4-6/h1-4,13H,5H2
InChIKeyFTHCWOHHXOTFAP-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.95
Rot. Bonds1

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

7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16769119) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16769119
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CO)nc2ccc(Br)cn12
InChIInChI=1S/C9H7BrN2O2/c10-6-1-2-8-11-7(5-13)3-9(14)12(8)4-6/h1-4,13H,5H2
InChIKeyFTHCWOHHXOTFAP-UHFFFAOYSA-N
XLogP0.95
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 135517940
7-bromo-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115631705
7-bromo-2-[(2-hydroxyphenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 62000512
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
2-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898760
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclopropanecarboxylate
CID 7863227
(2R)-2-amino-3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid
CID 61141513
7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2385146
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
CID 43631418
4-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzamide
CID 42928347
7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114681402

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 16769119) is 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CO)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FTHCWOHHXOTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-6-1-2-8-11-7(5-13)3-9(14)12(8)4-6/h1-4,13H,5H2.
What are the key properties of 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 255.07 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16769119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).