4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine

C122H82N18S6 — CID 157162385

About 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine

4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157162385) has the molecular formula C122H82N18S6 and a molecular weight of 1992.53 g/mol. Its IUPAC name is 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 157162385
• Molecular Formula: C122H82N18S6
• Molecular Weight: 1992.53 g/mol
• Exact Mass: 1990.53
• IUPAC Name: 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: Cc1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc2c1sc1ccccc12.Cc1nc(-c2cccc3c2c2ccccc2n3-c2ccccc2)nc2c1sc1ccccc12.Cc1nc(-c2ccccc2)nc2c1sc1ccccc12.Cc1nc(-c2ccccn2)nc2c1sc1ccccc12.Cc1nc(-c2ccncc2)nc2c1sc1ccccc12.Cc1nc(-c2ncccn2)nc2c1sc1ccccc12
• InChI: InChI=1S/2C29H19N3S.C17H12N2S.2C16H11N3S.C15H10N4S/c1-18-28-27(21-13-6-8-17-25(21)33-28)31-29(30-18)22-14-9-16-24-26(22)20-12-5-7-15-23(20)32(24)19-10-3-2-4-11-19;1-18-28-27(23-12-6-8-14-26(23)33-28)31-29(30-18)19-15-16-22-21-11-5-7-13-24(21)32(25(22)17-19)20-9-3-2-4-10-20;1-11-16-15(13-9-5-6-10-14(13)20-16)19-17(18-11)12-7-3-2-4-8-12;1-10-15-14(11-6-2-3-8-13(11)20-15)19-16(18-10)12-7-4-5-9-17-12;1-10-15-14(12-4-2-3-5-13(12)20-15)19-16(18-10)11-6-8-17-9-7-11;1-9-13-12(10-5-2-3-6-11(10)20-13)19-15(18-9)14-16-7-4-8-17-14/h2*2-17H,1H3;2-10H,1H3;2*2-9H,1H3;2-8H,1H3
• InChIKey: AMNIKTXTGMCMCF-UHFFFAOYSA-N
• XLogP: 32.69
• TPSA: 216.10 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.53
LogP ≤ 5	32.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 157162385) is 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine is Cc1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc2c1sc1ccccc12.Cc1nc(-c2cccc3c2c2ccccc2n3-c2ccccc2)nc2c1sc1ccccc12.Cc1nc(-c2ccccc2)nc2c1sc1ccccc12.Cc1nc(-c2ccccn2)nc2c1sc1ccccc12.Cc1nc(-c2ccncc2)nc2c1sc1ccccc12.Cc1nc(-c2ncccn2)nc2c1sc1ccccc12.

What is the InChIKey of 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is AMNIKTXTGMCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H19N3S.C17H12N2S.2C16H11N3S.C15H10N4S/c1-18-28-27(21-13-6-8-17-25(21)33-28)31-29(30-18)22-14-9-16-24-26(22)20-12-5-7-15-23(20)32(24)19-10-3-2-4-11-19;1-18-28-27(23-12-6-8-14-26(23)33-28)31-29(30-18)19-15-16-22-21-11-5-7-13-24(21)32(25(22)17-19)20-9-3-2-4-10-20;1-11-16-15(13-9-5-6-10-14(13)20-16)19-17(18-11)12-7-3-2-4-8-12;1-10-15-14(11-6-2-3-8-13(11)20-15)19-16(18-10)12-7-4-5-9-17-12;1-10-15-14(12-4-2-3-5-13(12)20-15)19-16(18-10)11-6-8-17-9-7-11;1-9-13-12(10-5-2-3-6-11(10)20-13)19-15(18-9)14-16-7-4-8-17-14/h2*2-17H,1H3;2-10H,1H3;2*2-9H,1H3;2-8H,1H3.

What are the key properties of 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?

4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1992.53 g/mol, XLogP of 32.69, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-(9-phenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-2-pyrimidin-2-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157162385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).