3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one

C10H14N2OS — CID 23155891

IUPAC3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCSc1nc2c(c(=O)n1C)CCCC2
InChIInChI=1S/C10H14N2OS/c1-12-9(13)7-5-3-4-6-8(7)11-10(12)14-2/h3-6H2,1-2H3
InChIKeyNGFVCFBXCOHZOY-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.38
Rot. Bonds1

About 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one

3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 23155891) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID23155891
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCSc1nc2c(c(=O)n1C)CCCC2
InChIInChI=1S/C10H14N2OS/c1-12-9(13)7-5-3-4-6-8(7)11-10(12)14-2/h3-6H2,1-2H3
InChIKeyNGFVCFBXCOHZOY-UHFFFAOYSA-N
XLogP1.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 23155891) is 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one is CSc1nc2c(c(=O)n1C)CCCC2.
What is the InChIKey of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is NGFVCFBXCOHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-12-9(13)7-5-3-4-6-8(7)11-10(12)14-2/h3-6H2,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one?
3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 210.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 23155891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).