2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one

C12H12BrN3O — CID 135779828

IUPAC2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one
SMILESNc1nc(CCc2cccc(Br)c2)cc(=O)[nH]1
InChIInChI=1S/C12H12BrN3O/c13-9-3-1-2-8(6-9)4-5-10-7-11(17)16-12(14)15-10/h1-3,6-7H,4-5H2,(H3,14,15,16,17)
InChIKeyBSFYBPPWNXZIPH-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one

2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one (PubChem CID 135779828) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one
PubChem CID135779828
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one
SMILESNc1nc(CCc2cccc(Br)c2)cc(=O)[nH]1
InChIInChI=1S/C12H12BrN3O/c13-9-3-1-2-8(6-9)4-5-10-7-11(17)16-12(14)15-10/h1-3,6-7H,4-5H2,(H3,14,15,16,17)
InChIKeyBSFYBPPWNXZIPH-UHFFFAOYSA-N
XLogP1.90
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bropirimine
CID 135413497
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838178
3-amino-9-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838179
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
6-[(3-bromophenyl)methyl]-3-hydroxy-1H-pyrimidine-2,4-dione
CID 145991985
3-amino-8-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838183
2-Amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4(3H)-one
CID 11645215
4(3H)-Pyrimidinone, 2-amino-6-(3-bromophenyl)-5-iodo-
CID 135435122
2-amino-6-benzylpyrimidin-4(1H)-one
CID 135454004
2-Amino-6-benzyl-5-bromo-4(3H)-pyrimidinone
CID 135480618
N-(5-Bromo-1,4-dihydro-4-oxo-6-phenyl-2-pyrimidinyl)-acetamide
CID 135750020

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one (CID 135779828) is 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one is Nc1nc(CCc2cccc(Br)c2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is BSFYBPPWNXZIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-3-1-2-8(6-9)4-5-10-7-11(17)16-12(14)15-10/h1-3,6-7H,4-5H2,(H3,14,15,16,17).
What are the key properties of 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one?
2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 294.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(3-bromophenyl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135779828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).