2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

C15H18BrN3O2 — CID 17369955

IUPAC2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\cc(C)nc(C)n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O2.BrH/c1-10-8-15(16)18(11(2)17-10)9-14(19)12-4-6-13(20-3)7-5-12;/h4-8,16H,9H2,1-3H3;1H/b16-15+;
InChIKeyJREUGLHKLXIENW-GEEYTBSJSA-N
MW352.23 g/mol
LogP2.45
Rot. Bonds4

About 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (PubChem CID 17369955) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
PubChem CID17369955
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\cc(C)nc(C)n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O2.BrH/c1-10-8-15(16)18(11(2)17-10)9-14(19)12-4-6-13(20-3)7-5-12;/h4-8,16H,9H2,1-3H3;1H/b16-15+;
InChIKeyJREUGLHKLXIENW-GEEYTBSJSA-N
XLogP2.45
TPSA67.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 11717912
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-methoxyphenyl)ethanone hydrochloride
CID 13956828
2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methoxyphenyl)ethanone
CID 11717913
Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate
CID 32236
1-(4-methoxyphenyl)-2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone
CID 4751258
N-(2,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-4-methoxybenzamide
CID 18566168
3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone;perchloric acid
CID 49797633
1-(4-Methoxyphenyl)-2-(1,1',2,2'-tetrahydro-2,2-bipyridin-2-ylidene)-1-propanone
CID 70691314
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(p-ethoxyphenyl)-1-ethanone
CID 2320253
2-(5-(ethoxymethyl)-4-imino-2-methyl-1(4H)-pyrimidinyl)-1-(4-methoxyphenyl)ethanone
CID 16000463
N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-(4-methoxyphenyl)acetamide
CID 16799368

Frequently Asked Questions

What is the IUPAC name of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (CID 17369955) is 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is Br.[H]/N=c1\cc(C)nc(C)n1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The InChIKey is JREUGLHKLXIENW-GEEYTBSJSA-N. The full InChI is InChI=1S/C15H17N3O2.BrH/c1-10-8-15(16)18(11(2)17-10)9-14(19)12-4-6-13(20-3)7-5-12;/h4-8,16H,9H2,1-3H3;1H/b16-15+;.
What are the key properties of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide has a molecular weight of 352.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 17369955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).