2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide

C12H11BrN4O2S — CID 135415544

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN4O2S/c13-7-1-3-8(4-2-7)15-11(19)6-20-12-16-9(14)5-10(18)17-12/h1-5H,6H2,(H,15,19)(H3,14,16,17,18)
InChIKeyYQBNKKFLOCHWEX-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.85
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide (PubChem CID 135415544) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
PubChem CID135415544
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN4O2S/c13-7-1-3-8(4-2-7)15-11(19)6-20-12-16-9(14)5-10(18)17-12/h1-5H,6H2,(H,15,19)(H3,14,16,17,18)
InChIKeyYQBNKKFLOCHWEX-UHFFFAOYSA-N
XLogP1.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135444927
N-(4-bromo-3-chlorophenyl)-2-[(4-oxo-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 2238183
7-[(4-Bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2492524
N-(4-Bromophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-A][1,3]diazepin-2-YL}sulfanyl)acetamide
CID 5109487
N-(3-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135413743
N-(4-bromophenyl)-2-{[5-ethyl-4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135444390
N-(4-bromophenyl)-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135484729
N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135519986
3-(2-Bromophenyl)-6-hydroxy-2-propylsulfanylpyrimidin-4-one
CID 156016005
2-(1-Allyl-6-amino-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-phenyl-acetamide
CID 655216
N-(4-bromophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135416684
2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 135406805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide (CID 135415544) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
The InChIKey is YQBNKKFLOCHWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2S/c13-7-1-3-8(4-2-7)15-11(19)6-20-12-16-9(14)5-10(18)17-12/h1-5H,6H2,(H,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide has a molecular weight of 355.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 135415544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).