2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

C9H8BrN5OS — CID 136996671

IUPAC2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2ncnc(N)c2Br)n1
InChIInChI=1S/C9H8BrN5OS/c1-4-2-5(16)15-9(14-4)17-8-6(10)7(11)12-3-13-8/h2-3H,1H3,(H2,11,12,13)(H,14,15,16)
InChIKeyGQPDTIDBASKDGR-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.36
Rot. Bonds2

About 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136996671) has the molecular formula C9H8BrN5OS and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136996671
Molecular FormulaC9H8BrN5OS
Molecular Weight314.17 g/mol
Exact Mass312.96
IUPAC Name2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2ncnc(N)c2Br)n1
InChIInChI=1S/C9H8BrN5OS/c1-4-2-5(16)15-9(14-4)17-8-6(10)7(11)12-3-13-8/h2-3H,1H3,(H2,11,12,13)(H,14,15,16)
InChIKeyGQPDTIDBASKDGR-UHFFFAOYSA-N
XLogP1.36
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136981731
2-(6-amino-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893151
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968118
2-[4-(2-aminobutyl)-3-bromophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136897610
5-chloro-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid
CID 135933580
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136678143
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitropyridine-3-carboxylic acid
CID 136726964
2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135876353
3-fluoro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886230
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135933637
3-amino-N-methyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenesulfonamide
CID 135952294
2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136728223

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136996671) is 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2ncnc(N)c2Br)n1.
What is the InChIKey of 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GQPDTIDBASKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5OS/c1-4-2-5(16)15-9(14-4)17-8-6(10)7(11)12-3-13-8/h2-3H,1H3,(H2,11,12,13)(H,14,15,16).
What are the key properties of 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 314.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-bromopyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136996671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).