7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine

C22H32N6OS — CID 150112400

IUPAC7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine
SMILESCNC1(C)N=c2sc3c(NCCN4CCOCC4)ncnc3c2=C2CC(C)(C)CC21
InChIInChI=1S/C22H32N6OS/c1-21(2)11-14-15(12-21)22(3,23-4)27-20-16(14)17-18(30-20)19(26-13-25-17)24-5-6-28-7-9-29-10-8-28/h13,15,23H,5-12H2,1-4H3,(H,24,25,26)
InChIKeyDXNOEBAQRIUCRL-UHFFFAOYSA-N
MW428.61 g/mol
LogP1.59
Rot. Bonds5

About 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine

7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine (PubChem CID 150112400) has the molecular formula C22H32N6OS and a molecular weight of 428.61 g/mol. Its IUPAC name is 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine.

Molecular Properties

Compound Name7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine
PubChem CID150112400
Molecular FormulaC22H32N6OS
Molecular Weight428.61 g/mol
Exact Mass428.24
IUPAC Name7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine
SMILESCNC1(C)N=c2sc3c(NCCN4CCOCC4)ncnc3c2=C2CC(C)(C)CC21
InChIInChI=1S/C22H32N6OS/c1-21(2)11-14-15(12-21)22(3,23-4)27-20-16(14)17-18(30-20)19(26-13-25-17)24-5-6-28-7-9-29-10-8-28/h13,15,23H,5-12H2,1-4H3,(H,24,25,26)
InChIKeyDXNOEBAQRIUCRL-UHFFFAOYSA-N
XLogP1.59
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine 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

8-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,9,12(17),13,15-pentaene-8,13-diamine
CID 151687325
N-(2-morpholin-4-ylethyl)-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 2004071
N-(2-morpholin-4-ylethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110432243
N-(2-morpholin-4-ylethyl)-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 11704860
8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 1237643
N-(3-morpholin-4-ylpropyl)-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2002280
8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 90993315
(6R)-6-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 1389235
4,4-dimethyl-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 56642417
4-[2-[[8-(furan-2-yl)-4,4-dimethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl]amino]ethyl]piperazine-1-carboxylic acid
CID 68894233
4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 145022020
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558

Frequently Asked Questions

What is the IUPAC name of 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine?
The IUPAC name of 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine (CID 150112400) is 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine.
What is the SMILES notation for 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine?
The canonical SMILES for 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine is CNC1(C)N=c2sc3c(NCCN4CCOCC4)ncnc3c2=C2CC(C)(C)CC21.
What is the InChIKey of 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine?
The InChIKey is DXNOEBAQRIUCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6OS/c1-21(2)11-14-15(12-21)22(3,23-4)27-20-16(14)17-18(30-20)19(26-13-25-17)24-5-6-28-7-9-29-10-8-28/h13,15,23H,5-12H2,1-4H3,(H,24,25,26).
What are the key properties of 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine?
7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine has a molecular weight of 428.61 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine is sourced from PubChem (CID 150112400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).