6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine

C10H15N3O2S — CID 83919478

IUPAC6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1CCc2nc(N)nc(S(C)(=O)=O)c2C1
InChIInChI=1S/C10H15N3O2S/c1-6-3-4-8-7(5-6)9(16(2,14)15)13-10(11)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyDJXMLULUKVOBRI-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.59
Rot. Bonds1

About 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine

6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 83919478) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID83919478
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1CCc2nc(N)nc(S(C)(=O)=O)c2C1
InChIInChI=1S/C10H15N3O2S/c1-6-3-4-8-7(5-6)9(16(2,14)15)13-10(11)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyDJXMLULUKVOBRI-UHFFFAOYSA-N
XLogP0.59
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 83919478) is 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine is CC1CCc2nc(N)nc(S(C)(=O)=O)c2C1.
What is the InChIKey of 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is DJXMLULUKVOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-3-4-8-7(5-6)9(16(2,14)15)13-10(11)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine?
6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 83919478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).