4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine

C17H18N2S — CID 122685015

IUPAC4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCc1cc(C)cc(-c2ncnc3c(C(C)C)csc23)c1
InChIInChI=1S/C17H18N2S/c1-10(2)14-8-20-17-15(18-9-19-16(14)17)13-6-11(3)5-12(4)7-13/h5-10H,1-4H3
InChIKeyHGJCCNDGWSXTCA-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.10
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine

4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine (PubChem CID 122685015) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine
PubChem CID122685015
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCc1cc(C)cc(-c2ncnc3c(C(C)C)csc23)c1
InChIInChI=1S/C17H18N2S/c1-10(2)14-8-20-17-15(18-9-19-16(14)17)13-6-11(3)5-12(4)7-13/h5-10H,1-4H3
InChIKeyHGJCCNDGWSXTCA-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
CID 159763030
4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine
CID 134387971
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
12-(3,5-dimethylphenyl)-5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
CID 167260861
4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine
CID 160746379
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CID 162692728
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CID 123164700
7-(2,2-dimethylpropyl)-4-(2-methyl-8-propan-2-ylquinolin-6-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177286120
2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
CID 175477212
2-(3,5-dimethylphenyl)-4-phenyl-5-propan-2-ylpyridine
CID 140847625
4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
CID 162692975

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine (CID 122685015) is 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine is Cc1cc(C)cc(-c2ncnc3c(C(C)C)csc23)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
The InChIKey is HGJCCNDGWSXTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-10(2)14-8-20-17-15(18-9-19-16(14)17)13-6-11(3)5-12(4)7-13/h5-10H,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine has a molecular weight of 282.41 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 122685015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).