4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine

C12H9ClN2S — CID 13103660

IUPAC4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)nc2c1CCS2
InChIInChI=1S/C12H9ClN2S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCAIILRGGPAOINT-UHFFFAOYSA-N
MW248.74 g/mol
LogP3.45
Rot. Bonds1

About 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine

4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine (PubChem CID 13103660) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine
PubChem CID13103660
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)nc2c1CCS2
InChIInChI=1S/C12H9ClN2S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCAIILRGGPAOINT-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 10561592
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 89245171
4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 174166624
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
4,5-dichloro-2-phenylpyrimidine
CID 59762779
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
CID 10639883
6-chloro-4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
CID 86298634
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
(4,6-dichloro-2-phenylpyrimidin-5-yl)-triphenylphosphanium perchlorate
CID 19166150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine (CID 13103660) is 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine is Clc1nc(-c2ccccc2)nc2c1CCS2.
What is the InChIKey of 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is CAIILRGGPAOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine?
4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 248.74 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 13103660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).