N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H15Br2N3O2S — CID 135519986

IUPACN-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C15H15Br2N3O2S/c1-2-3-10-7-13(21)20-15(18-10)23-8-14(22)19-12-5-4-9(16)6-11(12)17/h4-7H,2-3,8H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyBWSPWHWSTWGTMB-UHFFFAOYSA-N
MW461.18 g/mol
LogP3.98
Rot. Bonds6

About N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135519986) has the molecular formula C15H15Br2N3O2S and a molecular weight of 461.18 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135519986
Molecular FormulaC15H15Br2N3O2S
Molecular Weight461.18 g/mol
Exact Mass458.93
IUPAC NameN-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C15H15Br2N3O2S/c1-2-3-10-7-13(21)20-15(18-10)23-8-14(22)19-12-5-4-9(16)6-11(12)17/h4-7H,2-3,8H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyBWSPWHWSTWGTMB-UHFFFAOYSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.18
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(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
3-(2-Bromophenyl)-6-hydroxy-2-propylsulfanylpyrimidin-4-one
CID 156016005
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
2-(6-amino-4-hydroxypyrimidin-2-ylthio)-N-(4-bromophenyl)acetamide
CID 135415544
N-(4-Bromo-phenyl)-2-(4-hydroxy-6-phenyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135432369
N-(4-bromophenyl)-2-((4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135467376
N-(4-bromophenyl)-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135539276
N-(4-Bromo-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403540

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135519986) is N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is BWSPWHWSTWGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O2S/c1-2-3-10-7-13(21)20-15(18-10)23-8-14(22)19-12-5-4-9(16)6-11(12)17/h4-7H,2-3,8H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 461.18 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135519986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).