6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane

C16H18N2OS — CID 142801620

IUPAC6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane
SMILESCC.CSc1ncc2cc(Cc3ccccc3)oc2n1
InChIInChI=1S/C14H12N2OS.C2H6/c1-18-14-15-9-11-8-12(17-13(11)16-14)7-10-5-3-2-4-6-10;1-2/h2-6,8-9H,7H2,1H3;1-2H3
InChIKeyHZACAURNCLOUPY-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.56
Rot. Bonds3

About 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane

6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane (PubChem CID 142801620) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane
PubChem CID142801620
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane
SMILESCC.CSc1ncc2cc(Cc3ccccc3)oc2n1
InChIInChI=1S/C14H12N2OS.C2H6/c1-18-14-15-9-11-8-12(17-13(11)16-14)7-10-5-3-2-4-6-10;1-2/h2-6,8-9H,7H2,1H3;1-2H3
InChIKeyHZACAURNCLOUPY-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine
CID 21039980
6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine
CID 21039988
2-benzylfuro[2,3-b]pyridine
CID 10536385
trimethyl-(2-methylsulfanylfuro[2,3-d]pyrimidin-6-yl)silane
CID 59814753
2-methylsulfanylfuro[2,3-d]pyrimidine-6-thiol
CID 89226429
2-benzyl-5,7-dimethyl-1-benzofuran
CID 132609124
5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171500496
4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine
CID 121475993
2-methylsulfanyl-4-(2-phenylethylamino)pyrimidine-5-carbonitrile
CID 171705244
2-benzyl-3-bromo-6-methylpyridine
CID 142178472
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine
CID 141028428

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane?
The IUPAC name of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane (CID 142801620) is 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane.
What is the SMILES notation for 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane?
The canonical SMILES for 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane is CC.CSc1ncc2cc(Cc3ccccc3)oc2n1.
What is the InChIKey of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane?
The InChIKey is HZACAURNCLOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS.C2H6/c1-18-14-15-9-11-8-12(17-13(11)16-14)7-10-5-3-2-4-6-10;1-2/h2-6,8-9H,7H2,1H3;1-2H3.
What are the key properties of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane?
6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane has a molecular weight of 286.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine;ethane is sourced from PubChem (CID 142801620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).