4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine

C16H15ClN2OS — CID 115532938

IUPAC4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCOc1ccccc1-c1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H15ClN2OS/c1-4-20-12-8-6-5-7-11(12)15-18-14(17)13-9(2)10(3)21-16(13)19-15/h5-8H,4H2,1-3H3
InChIKeyBCUFRHBTYUGJRR-UHFFFAOYSA-N
MW318.83 g/mol
LogP5.03
Rot. Bonds3

About 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 115532938) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID115532938
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCOc1ccccc1-c1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H15ClN2OS/c1-4-20-12-8-6-5-7-11(12)15-18-14(17)13-9(2)10(3)21-16(13)19-15/h5-8H,4H2,1-3H3
InChIKeyBCUFRHBTYUGJRR-UHFFFAOYSA-N
XLogP5.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.83
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43658628
4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43519226
4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 158776014
4-(2-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082547
4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557749
2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62189532
7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine
CID 91476623
4-chloro-2-(4-ethoxy-3-methoxyphenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine
CID 7128529
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
CID 62026693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 115532938) is 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine is CCOc1ccccc1-c1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is BCUFRHBTYUGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-4-20-12-8-6-5-7-11(12)15-18-14(17)13-9(2)10(3)21-16(13)19-15/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 318.83 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 115532938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).