4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

C15H19N3OS2 — CID 2220408

IUPAC4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C15H19N3OS2/c1-20-15-16-13(18-6-8-19-9-7-18)12-10-4-2-3-5-11(10)21-14(12)17-15/h2-9H2,1H3
InChIKeyFVTBIZQPFAKVDO-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.13
Rot. Bonds2

About 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 2220408) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID2220408
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C15H19N3OS2/c1-20-15-16-13(18-6-8-19-9-7-18)12-10-4-2-3-5-11(10)21-14(12)17-15/h2-9H2,1H3
InChIKeyFVTBIZQPFAKVDO-UHFFFAOYSA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine with MolForge

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Related Compounds

12-Chloro-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
CID 2402633
2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-morpholinyl)ethanone
CID 705250
6-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3157193
1-Piperidin-1-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 858935
3-(7-Methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylamino)-propa n-1-ol
CID 2009708
2-Methyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
CID 2047262
2-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 2047299
2-[[4-(ethylamino)-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl]sulfanyl]acetamide
CID 2817154
2-(2-Oxo-2-ethoxyethylthio)-4-amino-5,6-butanothieno[2,3-d]pyrimidine
CID 658081
5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-8(9H)-thione
CID 1325691
2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]ethyl-dimethyl-amine
CID 664126
5,6-Dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 677414

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine (CID 2220408) is 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine is CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3.
What is the InChIKey of 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is FVTBIZQPFAKVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-20-15-16-13(18-6-8-19-9-7-18)12-10-4-2-3-5-11(10)21-14(12)17-15/h2-9H2,1H3.
What are the key properties of 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 321.47 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 2220408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).