6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine

C17H15FN2OS2 — CID 8642556

IUPAC6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2cc3ncnc(SC[C@@H]4CCCO4)c3s2)cc1
InChIInChI=1S/C17H15FN2OS2/c18-12-5-3-11(4-6-12)15-8-14-16(23-15)17(20-10-19-14)22-9-13-2-1-7-21-13/h3-6,8,10,13H,1-2,7,9H2/t13-/m0/s1
InChIKeyIAMVQHIMFYUKNM-ZDUSSCGKSA-N
MW346.45 g/mol
LogP4.77
Rot. Bonds4

About 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine

6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine (PubChem CID 8642556) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
PubChem CID8642556
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC Name6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2cc3ncnc(SC[C@@H]4CCCO4)c3s2)cc1
InChIInChI=1S/C17H15FN2OS2/c18-12-5-3-11(4-6-12)15-8-14-16(23-15)17(20-10-19-14)22-9-13-2-1-7-21-13/h3-6,8,10,13H,1-2,7,9H2/t13-/m0/s1
InChIKeyIAMVQHIMFYUKNM-ZDUSSCGKSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine with MolForge

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Related Compounds

3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine
CID 51670956
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7468825
1-(4-fluorophenyl)-4-(oxolan-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
CID 16603771
2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 31395575
N-[(2S)-butan-2-yl]-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetamide
CID 7468820
4-[[2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 31197030
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 42900311
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
N-[(4-fluorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 40843550
N-benzyl-5-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 35424416
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine (CID 8642556) is 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine is Fc1ccc(-c2cc3ncnc(SC[C@@H]4CCCO4)c3s2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine?
The InChIKey is IAMVQHIMFYUKNM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c18-12-5-3-11(4-6-12)15-8-14-16(23-15)17(20-10-19-14)22-9-13-2-1-7-21-13/h3-6,8,10,13H,1-2,7,9H2/t13-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine?
6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine has a molecular weight of 346.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 8642556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).