4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine

C12H9ClN2OS — CID 43155613

IUPAC4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
SMILESCc1cc(-c2cc3ncnc(Cl)c3s2)c(C)o1
InChIInChI=1S/C12H9ClN2OS/c1-6-3-8(7(2)16-6)10-4-9-11(17-10)12(13)15-5-14-9/h3-5H,1-2H3
InChIKeyOAYABIIOALAYNF-UHFFFAOYSA-N
MW264.74 g/mol
LogP4.22
Rot. Bonds1

About 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine

4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine (PubChem CID 43155613) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
PubChem CID43155613
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
SMILESCc1cc(-c2cc3ncnc(Cl)c3s2)c(C)o1
InChIInChI=1S/C12H9ClN2OS/c1-6-3-8(7(2)16-6)10-4-9-11(17-10)12(13)15-5-14-9/h3-5H,1-2H3
InChIKeyOAYABIIOALAYNF-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-(furan-3-yl)thieno[3,2-d]pyrimidine
CID 44449709
4-Chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 2757656
4-(furan-3-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
CID 44449634
N4-[3-(dimethylamino)propyl]-6-(3-furyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76310736
1-(3-Chlorophenyl)-2-[4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidin-2-yl]ethanone
CID 118720386
2-[3-(Dimethylamino)propyl]-1-[4-(furan-3-yl)thieno[3,2-d]pyrimidin-2-yl]guanidine
CID 168298162
4-Chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde
CID 87687887
4-Chloro-11-(2-furyl)-8,8-dimethyl-7,10-dihydro-8h-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CID 168665512
4-Chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 65433652
N-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 16390666
4-Chloro-6-(2-ethoxyphenyl)thieno[3,2-d]pyrimidine
CID 43155623
4-Chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine
CID 43155627

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine (CID 43155613) is 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine is Cc1cc(-c2cc3ncnc(Cl)c3s2)c(C)o1.
What is the InChIKey of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
The InChIKey is OAYABIIOALAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-6-3-8(7(2)16-6)10-4-9-11(17-10)12(13)15-5-14-9/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine has a molecular weight of 264.74 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 43155613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).