7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline

C112H134F4N10S3 — CID 160746377

IUPAC7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
SMILESCc1cc(-c2ncnc3cc(CC(C)(C)C)ccc23)cc(C)c1F.Cc1cc(C)cc(-c2ncnc3c(C(C)C)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3c(C4CCCC4)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3c(CC(C)(C)C(F)(F)F)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3cc(CC(C)(C)C)ccc23)c1
InChIInChI=1S/C24H29F3N2S.C24H30N2S.C22H28N2S.C21H23FN2.C21H24N2/c1-14-8-15(2)10-16(9-14)19-21-20(29-13-28-19)17(11-23(6,7)24(25,26)27)18(30-21)12-22(3,4)5;1-15-10-16(2)12-18(11-15)21-23-22(26-14-25-21)20(17-8-6-7-9-17)19(27-23)13-24(3,4)5;1-13(2)18-17(11-22(5,6)7)25-21-19(23-12-24-20(18)21)16-9-14(3)8-15(4)10-16;1-13-8-16(9-14(2)19(13)22)20-17-7-6-15(11-21(3,4)5)10-18(17)23-12-24-20;1-14-8-15(2)10-17(9-14)20-18-7-6-16(12-21(3,4)5)11-19(18)22-13-23-20/h8-10,13H,11-12H2,1-7H3;10-12,14,17H,6-9,13H2,1-5H3;8-10,12-13H,11H2,1-7H3;6-10,12H,11H2,1-5H3;6-11,13H,12H2,1-5H3
InChIKeyRWFXQXYYPKKRKI-UHFFFAOYSA-N
MW1792.57 g/mol
LogP32.75
Rot. Bonds14

About 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline

7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline (PubChem CID 160746377) has the molecular formula C112H134F4N10S3 and a molecular weight of 1792.57 g/mol. Its IUPAC name is 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
PubChem CID160746377
Molecular FormulaC112H134F4N10S3
Molecular Weight1792.57 g/mol
Exact Mass1790.99
IUPAC Name7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
SMILESCc1cc(-c2ncnc3cc(CC(C)(C)C)ccc23)cc(C)c1F.Cc1cc(C)cc(-c2ncnc3c(C(C)C)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3c(C4CCCC4)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3c(CC(C)(C)C(F)(F)F)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3cc(CC(C)(C)C)ccc23)c1
InChIInChI=1S/C24H29F3N2S.C24H30N2S.C22H28N2S.C21H23FN2.C21H24N2/c1-14-8-15(2)10-16(9-14)19-21-20(29-13-28-19)17(11-23(6,7)24(25,26)27)18(30-21)12-22(3,4)5;1-15-10-16(2)12-18(11-15)21-23-22(26-14-25-21)20(17-8-6-7-9-17)19(27-23)13-24(3,4)5;1-13(2)18-17(11-22(5,6)7)25-21-19(23-12-24-20(18)21)16-9-14(3)8-15(4)10-16;1-13-8-16(9-14(2)19(13)22)20-17-7-6-15(11-21(3,4)5)10-18(17)23-12-24-20;1-14-8-15(2)10-17(9-14)20-18-7-6-16(12-21(3,4)5)11-19(18)22-13-23-20/h8-10,13H,11-12H2,1-7H3;10-12,14,17H,6-9,13H2,1-5H3;8-10,12-13H,11H2,1-7H3;6-10,12H,11H2,1-5H3;6-11,13H,12H2,1-5H3
InChIKeyRWFXQXYYPKKRKI-UHFFFAOYSA-N
XLogP32.75
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.57
LogP ≤ 532.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
The IUPAC name of 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline (CID 160746377) is 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline.
What is the SMILES notation for 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
The canonical SMILES for 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline is Cc1cc(-c2ncnc3cc(CC(C)(C)C)ccc23)cc(C)c1F.Cc1cc(C)cc(-c2ncnc3c(C(C)C)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3c(C4CCCC4)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3c(CC(C)(C)C(F)(F)F)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3cc(CC(C)(C)C)ccc23)c1.
What is the InChIKey of 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
The InChIKey is RWFXQXYYPKKRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2S.C24H30N2S.C22H28N2S.C21H23FN2.C21H24N2/c1-14-8-15(2)10-16(9-14)19-21-20(29-13-28-19)17(11-23(6,7)24(25,26)27)18(30-21)12-22(3,4)5;1-15-10-16(2)12-18(11-15)21-23-22(26-14-25-21)20(17-8-6-7-9-17)19(27-23)13-24(3,4)5;1-13(2)18-17(11-22(5,6)7)25-21-19(23-12-24-20(18)21)16-9-14(3)8-15(4)10-16;1-13-8-16(9-14(2)19(13)22)20-17-7-6-15(11-21(3,4)5)10-18(17)23-12-24-20;1-14-8-15(2)10-17(9-14)20-18-7-6-16(12-21(3,4)5)11-19(18)22-13-23-20/h8-10,13H,11-12H2,1-7H3;10-12,14,17H,6-9,13H2,1-5H3;8-10,12-13H,11H2,1-7H3;6-10,12H,11H2,1-5H3;6-11,13H,12H2,1-5H3.
What are the key properties of 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline has a molecular weight of 1792.57 g/mol, XLogP of 32.75, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline is sourced from PubChem (CID 160746377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).