4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine

C13H15N3OS2 — CID 3759901

IUPAC4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESC=CCSc1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C13H15N3OS2/c1-2-8-19-13-14-10-3-9-18-11(10)12(15-13)16-4-6-17-7-5-16/h2-3,9H,1,4-8H2
InChIKeyGEYFJQUBUIGTTM-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.81
Rot. Bonds4

About 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine

4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 3759901) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID3759901
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESC=CCSc1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C13H15N3OS2/c1-2-8-19-13-14-10-3-9-18-11(10)12(15-13)16-4-6-17-7-5-16/h2-3,9H,1,4-8H2
InChIKeyGEYFJQUBUIGTTM-UHFFFAOYSA-N
XLogP2.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 1479967
4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 112750461
4-[2-(naphthalen-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 142678289
N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 154167582
4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593144
N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
CID 71557963
4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164612049
1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 157355095
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
bis[2-ethyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate
CID 163206677
1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
CID 141384311

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine (CID 3759901) is 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine is C=CCSc1nc(N2CCOCC2)c2sccc2n1.
What is the InChIKey of 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is GEYFJQUBUIGTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-8-19-13-14-10-3-9-18-11(10)12(15-13)16-4-6-17-7-5-16/h2-3,9H,1,4-8H2.
What are the key properties of 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 293.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 3759901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).