4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline

C10H14N2OS — CID 23057759

IUPAC4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc(S(C)=O)nc2c1CCCC2
InChIInChI=1S/C10H14N2OS/c1-7-8-5-3-4-6-9(8)12-10(11-7)14(2)13/h3-6H2,1-2H3
InChIKeyXSMNRLKGDJFYTJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.40
Rot. Bonds1

About 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline

4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 23057759) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline
PubChem CID23057759
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc(S(C)=O)nc2c1CCCC2
InChIInChI=1S/C10H14N2OS/c1-7-8-5-3-4-6-9(8)12-10(11-7)14(2)13/h3-6H2,1-2H3
InChIKeyXSMNRLKGDJFYTJ-UHFFFAOYSA-N
XLogP1.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline (CID 23057759) is 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline is Cc1nc(S(C)=O)nc2c1CCCC2.
What is the InChIKey of 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is XSMNRLKGDJFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-8-5-3-4-6-9(8)12-10(11-7)14(2)13/h3-6H2,1-2H3.
What are the key properties of 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline?
4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 210.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 23057759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).