3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol

C15H15N3OS2 — CID 104591130

IUPAC3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
SMILESCCNc1nc(CSc2cccc(O)c2)nc2sccc12
InChIInChI=1S/C15H15N3OS2/c1-2-16-14-12-6-7-20-15(12)18-13(17-14)9-21-11-5-3-4-10(19)8-11/h3-8,19H,2,9H2,1H3,(H,16,17,18)
InChIKeyMEVRIYOMCLAEQT-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.12
Rot. Bonds5

About 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol

3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol (PubChem CID 104591130) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
PubChem CID104591130
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
SMILESCCNc1nc(CSc2cccc(O)c2)nc2sccc12
InChIInChI=1S/C15H15N3OS2/c1-2-16-14-12-6-7-20-15(12)18-13(17-14)9-21-11-5-3-4-10(19)8-11/h3-8,19H,2,9H2,1H3,(H,16,17,18)
InChIKeyMEVRIYOMCLAEQT-UHFFFAOYSA-N
XLogP4.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591110
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189284
N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63381541
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one
CID 62193274
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63486940

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
The IUPAC name of 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol (CID 104591130) is 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol is CCNc1nc(CSc2cccc(O)c2)nc2sccc12.
What is the InChIKey of 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
The InChIKey is MEVRIYOMCLAEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-2-16-14-12-6-7-20-15(12)18-13(17-14)9-21-11-5-3-4-10(19)8-11/h3-8,19H,2,9H2,1H3,(H,16,17,18).
What are the key properties of 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol has a molecular weight of 317.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 104591130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).