(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone

C16H15BrN2O — CID 42647065

IUPAC(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone
SMILESCC1=CC2=NCC(C(=O)c3ccc(Br)cc3)CN2C=C1
InChIInChI=1S/C16H15BrN2O/c1-11-6-7-19-10-13(9-18-15(19)8-11)16(20)12-2-4-14(17)5-3-12/h2-8,13H,9-10H2,1H3
InChIKeyWLFYBJUJAVIEPH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.44
Rot. Bonds2

About (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone

(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 42647065) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone
PubChem CID42647065
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone
SMILESCC1=CC2=NCC(C(=O)c3ccc(Br)cc3)CN2C=C1
InChIInChI=1S/C16H15BrN2O/c1-11-6-7-19-10-13(9-18-15(19)8-11)16(20)12-2-4-14(17)5-3-12/h2-8,13H,9-10H2,1H3
InChIKeyWLFYBJUJAVIEPH-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone (CID 42647065) is (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone is CC1=CC2=NCC(C(=O)c3ccc(Br)cc3)CN2C=C1.
What is the InChIKey of (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is WLFYBJUJAVIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-6-7-19-10-13(9-18-15(19)8-11)16(20)12-2-4-14(17)5-3-12/h2-8,13H,9-10H2,1H3.
What are the key properties of (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone?
(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone has a molecular weight of 331.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 42647065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).