2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol

C13H14N2OS — CID 14884312

IUPAC2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
SMILESCc1nc(SCc2ccccc2)nc(C)c1O
InChIInChI=1S/C13H14N2OS/c1-9-12(16)10(2)15-13(14-9)17-8-11-6-4-3-5-7-11/h3-7,16H,8H2,1-2H3
InChIKeyWUMJSCQJRSKXGL-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.09
Rot. Bonds3

About 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol

2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol (PubChem CID 14884312) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol.

Molecular Properties

Compound Name2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
PubChem CID14884312
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
SMILESCc1nc(SCc2ccccc2)nc(C)c1O
InChIInChI=1S/C13H14N2OS/c1-9-12(16)10(2)15-13(14-9)17-8-11-6-4-3-5-7-11/h3-7,16H,8H2,1-2H3
InChIKeyWUMJSCQJRSKXGL-UHFFFAOYSA-N
XLogP3.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
5-benzyl-2-benzylsulfanyl-6-methylpyrimidin-4-olate
CID 3840566
2-benzylsulfanyl-4,7-dimethylquinazoline
CID 750429
2-benzylsulfanyl-6-methylpyrimidine-4-carboxylic acid
CID 107555108
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672
N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847143
(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
CID 102546182
4-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline
CID 695232
5-benzylsulfanyl-4,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 170731377
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
4-ethyl-5-methyl-2-[3-[[4-(3-phenylpropyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenol
CID 136931600
4-[4,6-bis(benzylsulfanyl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]butan-1-ol
CID 11850628

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol?
The IUPAC name of 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol (CID 14884312) is 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol.
What is the SMILES notation for 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol?
The canonical SMILES for 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol is Cc1nc(SCc2ccccc2)nc(C)c1O.
What is the InChIKey of 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol?
The InChIKey is WUMJSCQJRSKXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-12(16)10(2)15-13(14-9)17-8-11-6-4-3-5-7-11/h3-7,16H,8H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol?
2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol has a molecular weight of 246.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol is sourced from PubChem (CID 14884312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).