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

C14H13N3OS2 — CID 104591110

IUPAC3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
SMILESCNc1nc(CSc2cccc(O)c2)nc2sccc12
InChIInChI=1S/C14H13N3OS2/c1-15-13-11-5-6-19-14(11)17-12(16-13)8-20-10-4-2-3-9(18)7-10/h2-7,18H,8H2,1H3,(H,15,16,17)
InChIKeyFHJBVGCYPCAFOY-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.73
Rot. Bonds4

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

3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol (PubChem CID 104591110) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
PubChem CID104591110
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
SMILESCNc1nc(CSc2cccc(O)c2)nc2sccc12
InChIInChI=1S/C14H13N3OS2/c1-15-13-11-5-6-19-14(11)17-12(16-13)8-20-10-4-2-3-9(18)7-10/h2-7,18H,8H2,1H3,(H,15,16,17)
InChIKeyFHJBVGCYPCAFOY-UHFFFAOYSA-N
XLogP3.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591130
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189283
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 104603999
2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66146454
2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66159639
N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 107756644
N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63659080
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
The IUPAC name of 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol (CID 104591110) is 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol is CNc1nc(CSc2cccc(O)c2)nc2sccc12.
What is the InChIKey of 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
The InChIKey is FHJBVGCYPCAFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-15-13-11-5-6-19-14(11)17-12(16-13)8-20-10-4-2-3-9(18)7-10/h2-7,18H,8H2,1H3,(H,15,16,17).
What are the key properties of 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol?
3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol has a molecular weight of 303.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 104591110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).