N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C13H21N3O2S — CID 81425987

IUPACN-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(CS(C)(=O)=O)ncc2C1
InChIInChI=1S/C13H21N3O2S/c1-3-14-7-10-4-5-12-11(6-10)8-15-13(16-12)9-19(2,17)18/h8,10,14H,3-7,9H2,1-2H3
InChIKeyDLRPJSYJYLCJCP-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.74
Rot. Bonds5

About N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425987) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425987
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(CS(C)(=O)=O)ncc2C1
InChIInChI=1S/C13H21N3O2S/c1-3-14-7-10-4-5-12-11(6-10)8-15-13(16-12)9-19(2,17)18/h8,10,14H,3-7,9H2,1-2H3
InChIKeyDLRPJSYJYLCJCP-UHFFFAOYSA-N
XLogP0.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424418
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 103150835
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424582
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
CID 81425529
N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424942
N-[[2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424580
N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425515
(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81423082

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425987) is N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(CS(C)(=O)=O)ncc2C1.
What is the InChIKey of N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is DLRPJSYJYLCJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-14-7-10-4-5-12-11(6-10)8-15-13(16-12)9-19(2,17)18/h8,10,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 283.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).