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

C15H10Br2N2O — CID 53310095

IUPAC7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccc(Br)cc1
InChIInChI=1S/C15H10Br2N2O/c16-12-3-1-10(2-4-12)7-11-8-19-9-13(17)5-6-14(19)18-15(11)20/h1-6,8-9H,7H2
InChIKeyXMYMINTTWQRLJN-UHFFFAOYSA-N
MW394.07 g/mol
LogP3.81
Rot. Bonds2

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

7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53310095) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53310095
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccc(Br)cc1
InChIInChI=1S/C15H10Br2N2O/c16-12-3-1-10(2-4-12)7-11-8-19-9-13(17)5-6-14(19)18-15(11)20/h1-6,8-9H,7H2
InChIKeyXMYMINTTWQRLJN-UHFFFAOYSA-N
XLogP3.81
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135925123
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-[(4-Fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309949
3-[(4-Bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310093
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
9-Amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 90666160
(4-bromophenyl)-(3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone
CID 49797626
7-Bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310090
5-(3-Bromophenyl)-1-methylpyrimidin-4-one
CID 12284403
5-[(4-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 19926845
1-[(E)-3-(4-bromophenyl)prop-2-enyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 172227384
3-benzyl-1-[(E)-3-(4-bromophenyl)prop-2-enyl]-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 172227396

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53310095) is 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccc(Br)cn2cc1Cc1ccc(Br)cc1.
What is the InChIKey of 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is XMYMINTTWQRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-12-3-1-10(2-4-12)7-11-8-19-9-13(17)5-6-14(19)18-15(11)20/h1-6,8-9H,7H2.
What are the key properties of 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 394.07 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53310095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).