2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one

C13H14BrN3O — CID 11645215

IUPAC2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(CCc2cccc(Br)c2)cc1=O
InChIInChI=1S/C13H14BrN3O/c1-17-12(18)8-11(16-13(17)15)6-5-9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3,(H2,15,16)
InChIKeyQKBCDBDMTIPQQI-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one

2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one (PubChem CID 11645215) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one
PubChem CID11645215
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(CCc2cccc(Br)c2)cc1=O
InChIInChI=1S/C13H14BrN3O/c1-17-12(18)8-11(16-13(17)15)6-5-9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3,(H2,15,16)
InChIKeyQKBCDBDMTIPQQI-UHFFFAOYSA-N
XLogP1.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[(E)-2-(3-bromophenyl)ethenyl]-3-methylpyrimidin-4-one
CID 16730557
4-[2-(3-bromophenyl)ethyl]-1-methyltriazole
CID 112717449
4-[2-(3-bromophenyl)ethyl]-2H-triazole
CID 112717442
2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-(3-methylbutyl)pyrimidin-4-one
CID 68927213
3-(3-bromophenyl)propanamide;ethane
CID 91218964
3-(3-bromophenyl)propanamide
CID 20823841
1-[2-(3-bromophenyl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 84605285
5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47158248
1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione
CID 53342176
1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135387196
2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one
CID 91141491
2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one
CID 25063825

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one (CID 11645215) is 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one is Cn1c(N)nc(CCc2cccc(Br)c2)cc1=O.
What is the InChIKey of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one?
The InChIKey is QKBCDBDMTIPQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-17-12(18)8-11(16-13(17)15)6-5-9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3,(H2,15,16).
What are the key properties of 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one?
2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one has a molecular weight of 308.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 11645215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).