N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C22H33N5O2S — CID 133386359

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)C1CN(C)CCO1
InChIInChI=1S/C22H33N5O2S/c1-15(17-13-26(2)7-12-29-17)23-21-20-16-5-3-4-6-18(16)30-22(20)25-19(24-21)14-27-8-10-28-11-9-27/h15,17H,3-14H2,1-2H3,(H,23,24,25)
InChIKeyOHOPUUYDQLMRBG-UHFFFAOYSA-N
MW431.61 g/mol
LogP2.53
Rot. Bonds5

About N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 133386359) has the molecular formula C22H33N5O2S and a molecular weight of 431.61 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID133386359
Molecular FormulaC22H33N5O2S
Molecular Weight431.61 g/mol
Exact Mass431.24
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)C1CN(C)CCO1
InChIInChI=1S/C22H33N5O2S/c1-15(17-13-26(2)7-12-29-17)23-21-20-16-5-3-4-6-18(16)30-22(20)25-19(24-21)14-27-8-10-28-11-9-27/h15,17H,3-14H2,1-2H3,(H,23,24,25)
InChIKeyOHOPUUYDQLMRBG-UHFFFAOYSA-N
XLogP2.53
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 32734405
N-[(2S)-1-methoxypropan-2-yl]-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9311367
[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 16773878
N-(2-methyl-2-methylsulfanylpropyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133327361
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133378161
N-(2-methylbutan-2-yl)-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 8565367
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 60505676
2-(morpholin-4-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 17487734
N-[(4-methoxyoxan-4-yl)methyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133400037
1-[4-[2-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 60503135
N-[(4-methylphenyl)methyl]-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 2685915
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133272574

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 133386359) is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CC(Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OHOPUUYDQLMRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2S/c1-15(17-13-26(2)7-12-29-17)23-21-20-16-5-3-4-6-18(16)30-22(20)25-19(24-21)14-27-8-10-28-11-9-27/h15,17H,3-14H2,1-2H3,(H,23,24,25).
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 431.61 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133386359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).