2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C17H16BrN3O — CID 51253064

IUPAC2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)c(Br)c1
InChIInChI=1S/C17H16BrN3O/c1-11-3-5-15(14(18)7-11)19-9-13-8-17(22)21-10-12(2)4-6-16(21)20-13/h3-8,10,19H,9H2,1-2H3
InChIKeyZFRIBANXWWVFTF-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.69
Rot. Bonds3

About 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 51253064) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID51253064
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)c(Br)c1
InChIInChI=1S/C17H16BrN3O/c1-11-3-5-15(14(18)7-11)19-9-13-8-17(22)21-10-12(2)4-6-16(21)20-13/h3-8,10,19H,9H2,1-2H3
InChIKeyZFRIBANXWWVFTF-UHFFFAOYSA-N
XLogP3.69
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-iodoanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 166207111
2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 166219766
methyl 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-propan-2-ylbenzoate
CID 71881761
N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
CID 55729288
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 46814586
7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42884024
2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 16611538
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
2-[[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8834240
2-[[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8834249
7-methyl-2-[[3-(2-thiophen-2-ylethynyl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47023138
2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8992222

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 51253064) is 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZFRIBANXWWVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-11-3-5-15(14(18)7-11)19-9-13-8-17(22)21-10-12(2)4-6-16(21)20-13/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51253064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).