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

C26H35N5O3S — CID 55470199

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)N2CCOCC2)o1
InChIInChI=1S/C26H35N5O3S/c1-18-6-7-21(34-18)20(31-10-14-33-15-11-31)16-27-25-24-19-4-2-3-5-22(19)35-26(24)29-23(28-25)17-30-8-12-32-13-9-30/h6-7,20H,2-5,8-17H2,1H3,(H,27,28,29)
InChIKeyKGAUXTYTRXUNJI-UHFFFAOYSA-N
MW497.67 g/mol
LogP3.79
Rot. Bonds7

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

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 55470199) has the molecular formula C26H35N5O3S and a molecular weight of 497.67 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID55470199
Molecular FormulaC26H35N5O3S
Molecular Weight497.67 g/mol
Exact Mass497.25
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)N2CCOCC2)o1
InChIInChI=1S/C26H35N5O3S/c1-18-6-7-21(34-18)20(31-10-14-33-15-11-31)16-27-25-24-19-4-2-3-5-22(19)35-26(24)29-23(28-25)17-30-8-12-32-13-9-30/h6-7,20H,2-5,8-17H2,1H3,(H,27,28,29)
InChIKeyKGAUXTYTRXUNJI-UHFFFAOYSA-N
XLogP3.79
TPSA75.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-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-[(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-(4-ethylpiperazin-1-yl)propyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 60505676
N-[(4-methoxyphenyl)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 2395820
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
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-[(4-methoxyoxan-4-yl)methyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133400037
N-[(2,5-dimethoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55545151
[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-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
4-[[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 133299479
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-[(2-methoxyphenyl)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 2686749

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 55470199) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is Cc1ccc(C(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KGAUXTYTRXUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3S/c1-18-6-7-21(34-18)20(31-10-14-33-15-11-31)16-27-25-24-19-4-2-3-5-22(19)35-26(24)29-23(28-25)17-30-8-12-32-13-9-30/h6-7,20H,2-5,8-17H2,1H3,(H,27,28,29).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 497.67 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55470199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).