7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C21H32N4OS — CID 18293029

IUPAC7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)CC(CNc1ncnc2sc3c(c12)CCC(C)C3)N1CCOCC1
InChIInChI=1S/C21H32N4OS/c1-14(2)10-16(25-6-8-26-9-7-25)12-22-20-19-17-5-4-15(3)11-18(17)27-21(19)24-13-23-20/h13-16H,4-12H2,1-3H3,(H,22,23,24)
InChIKeyOZWCAVVKEMSCAL-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.97
Rot. Bonds6

About 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 18293029) has the molecular formula C21H32N4OS and a molecular weight of 388.58 g/mol. Its IUPAC name is 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID18293029
Molecular FormulaC21H32N4OS
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)CC(CNc1ncnc2sc3c(c12)CCC(C)C3)N1CCOCC1
InChIInChI=1S/C21H32N4OS/c1-14(2)10-16(25-6-8-26-9-7-25)12-22-20-19-17-5-4-15(3)11-18(17)27-21(19)24-13-23-20/h13-16H,4-12H2,1-3H3,(H,22,23,24)
InChIKeyOZWCAVVKEMSCAL-UHFFFAOYSA-N
XLogP3.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 46683671
N-(3-methyl-2-morpholin-4-ylbutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 18156196
(7S)-7-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9251872
7-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18284240
N',N'-dimethyl-N-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 9280709
2-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetate
CID 6928059
1-[4-[2-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 94420274
(7S)-7-methyl-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2445190
5-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 2791856
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine
CID 55853686
(2R)-1-[[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310901
(7R)-N-(1-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 8566008

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 18293029) is 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CC(C)CC(CNc1ncnc2sc3c(c12)CCC(C)C3)N1CCOCC1.
What is the InChIKey of 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OZWCAVVKEMSCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OS/c1-14(2)10-16(25-6-8-26-9-7-25)12-22-20-19-17-5-4-15(3)11-18(17)27-21(19)24-13-23-20/h13-16H,4-12H2,1-3H3,(H,22,23,24).
What are the key properties of 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 388.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18293029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).