N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C12H19N3O2S — CID 116633187

IUPACN-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C(C)S(C)(=O)=O)nc2c1CCCC2
InChIInChI=1S/C12H19N3O2S/c1-8(18(3,16)17)11-14-10-7-5-4-6-9(10)12(13-2)15-11/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyLXIVCYNIZRWWBS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116633187) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116633187
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C(C)S(C)(=O)=O)nc2c1CCCC2
InChIInChI=1S/C12H19N3O2S/c1-8(18(3,16)17)11-14-10-7-5-4-6-9(10)12(13-2)15-11/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyLXIVCYNIZRWWBS-UHFFFAOYSA-N
XLogP1.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-pentan-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62313616
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633220
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
CID 62314525
N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
CID 25039003
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62391586
N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116633288
4-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 97188062
4-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72843900
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116633187) is N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(C(C)S(C)(=O)=O)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is LXIVCYNIZRWWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(18(3,16)17)11-14-10-7-5-4-6-9(10)12(13-2)15-11/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116633187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).