5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine

C11H14N2OS — CID 142657101

IUPAC5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine
SMILESCOc1ccccc1SC1CN=CNC1
InChIInChI=1S/C11H14N2OS/c1-14-10-4-2-3-5-11(10)15-9-6-12-8-13-7-9/h2-5,8-9H,6-7H2,1H3,(H,12,13)
InChIKeyGAJUFKSMYGHPCE-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.79
Rot. Bonds3

About 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine

5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 142657101) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine
PubChem CID142657101
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine
SMILESCOc1ccccc1SC1CN=CNC1
InChIInChI=1S/C11H14N2OS/c1-14-10-4-2-3-5-11(10)15-9-6-12-8-13-7-9/h2-5,8-9H,6-7H2,1H3,(H,12,13)
InChIKeyGAJUFKSMYGHPCE-UHFFFAOYSA-N
XLogP1.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine (CID 142657101) is 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine is COc1ccccc1SC1CN=CNC1.
What is the InChIKey of 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is GAJUFKSMYGHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-10-4-2-3-5-11(10)15-9-6-12-8-13-7-9/h2-5,8-9H,6-7H2,1H3,(H,12,13).
What are the key properties of 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine?
5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 222.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 142657101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).