4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine

C12H6F2N2S — CID 58661207

IUPAC4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(F)c(-c2ncnc3ccsc23)c1
InChIInChI=1S/C12H6F2N2S/c13-7-1-2-9(14)8(5-7)11-12-10(3-4-17-12)15-6-16-11/h1-6H
InChIKeyBVBVWAMPUKBTNP-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.64
Rot. Bonds1

About 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine

4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine (PubChem CID 58661207) has the molecular formula C12H6F2N2S and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
PubChem CID58661207
Molecular FormulaC12H6F2N2S
Molecular Weight248.26 g/mol
Exact Mass248.02
IUPAC Name4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(F)c(-c2ncnc3ccsc23)c1
InChIInChI=1S/C12H6F2N2S/c13-7-1-2-9(14)8(5-7)11-12-10(3-4-17-12)15-6-16-11/h1-6H
InChIKeyBVBVWAMPUKBTNP-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

iridium;4-(3,4,5-trifluorobenzene-6-id-1-yl)thieno[3,2-d]pyrimidine
CID 58661163
2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile
CID 39818616
2-chloro-3-(2,5-difluorophenyl)thiophene
CID 66799983
N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55129663
4-(3,5-difluorophenyl)thieno[3,2-d]pyrimidin-2-amine
CID 112750355
4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
CID 82342230
[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone
CID 166366129
4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126792769
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
1-(4-chlorophenyl)-N-[3-fluoro-4-(2-thieno[3,2-d]pyrimidin-4-ylphenyl)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 141494682
6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol
CID 144744809
4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
CID 55091235

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine (CID 58661207) is 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine is Fc1ccc(F)c(-c2ncnc3ccsc23)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine?
The InChIKey is BVBVWAMPUKBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2S/c13-7-1-2-9(14)8(5-7)11-12-10(3-4-17-12)15-6-16-11/h1-6H.
What are the key properties of 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine?
4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine has a molecular weight of 248.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 58661207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).