2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine

C8H9ClN2OS — CID 172576400

IUPAC2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CSC2
InChIInChI=1S/C8H9ClN2OS/c1-2-12-7-5-3-13-4-6(5)10-8(9)11-7/h2-4H2,1H3
InChIKeySLLKCBMTWWMLIZ-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine

2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 172576400) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID172576400
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CSC2
InChIInChI=1S/C8H9ClN2OS/c1-2-12-7-5-3-13-4-6(5)10-8(9)11-7/h2-4H2,1H3
InChIKeySLLKCBMTWWMLIZ-UHFFFAOYSA-N
XLogP2.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxy-2,5,6-trimethylpyrimidine
CID 11062766
2-Fluoro-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 172576482
4-Ethoxy-2-fluoro-5,6-dimethylpyrimidine
CID 172576506
4-Ethoxy-2-fluoro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 172576535
4-Methoxy-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 11745974
4-Methoxy-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 15264187
4-Methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 10845150
2-(2-Chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-lambda4-sulfane
CID 126758925
2-Chloro-4-cyclobutyloxy-5,6-dimethylpyrimidine
CID 132051997
4-Butoxy-5,6-dimethylpyrimidin-2-amine
CID 132206592
4-Ethoxy-5,6-dimethylpyrimidin-2-amine
CID 147862348
2-Chloro-4-methoxy-5,6-dimethylpyrimidine;ethane
CID 155571429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine (CID 172576400) is 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine is CCOc1nc(Cl)nc2c1CSC2.
What is the InChIKey of 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is SLLKCBMTWWMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-2-12-7-5-3-13-4-6(5)10-8(9)11-7/h2-4H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine?
2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 216.69 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 172576400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).