4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C11H9BrN2OS — CID 137025467

IUPAC4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(-c2ccccc2Br)cc(=O)[nH]1
InChIInChI=1S/C11H9BrN2OS/c1-16-11-13-9(6-10(15)14-11)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeyXAEBIUNFAFVZMV-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one

4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 137025467) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID137025467
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(-c2ccccc2Br)cc(=O)[nH]1
InChIInChI=1S/C11H9BrN2OS/c1-16-11-13-9(6-10(15)14-11)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeyXAEBIUNFAFVZMV-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-fluorophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025470
4-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135682232
4-(3,4-dimethylphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025492
4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025507
2-methylsulfanyl-4-quinoxalin-6-yl-1H-pyrimidin-6-one
CID 135884447
4-(2,1,3-benzothiadiazol-5-yl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135884459
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
CID 70357325
CID 70357325
2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
CID 14551217
4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 137210861
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135934367
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 137025467) is 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(-c2ccccc2Br)cc(=O)[nH]1.
What is the InChIKey of 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is XAEBIUNFAFVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-16-11-13-9(6-10(15)14-11)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 297.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137025467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).