3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione

C24H26ClN5O3S — CID 146445361

About 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione

3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione (PubChem CID 146445361) has the molecular formula C24H26ClN5O3S and a molecular weight of 500.02 g/mol. Its IUPAC name is 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
• PubChem CID: 146445361
• Molecular Formula: C24H26ClN5O3S
• Molecular Weight: 500.02 g/mol
• Exact Mass: 499.14
• IUPAC Name: 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
• SMILES: Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CC(C)NC4=O)sc23)c1C[C@@H]1CNCCO1
• InChI: InChI=1S/C24H26ClN5O3S/c1-13-5-15(25)7-19(18(13)8-16-10-26-3-4-33-16)22-23-20(27-12-28-22)9-17(34-23)11-30-21(31)6-14(2)29-24(30)32/h5,7,9,12,14,16,26H,3-4,6,8,10-11H2,1-2H3,(H,29,32)/t14?,16-/m1/s1
• InChIKey: GKIFDLCZDAFXFA-BZSJEYESSA-N
• XLogP: 3.68
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.02
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?

The IUPAC name of 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione (CID 146445361) is 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione.

What is the SMILES notation for 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?

The canonical SMILES for 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione is Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CC(C)NC4=O)sc23)c1C[C@@H]1CNCCO1.

What is the InChIKey of 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?

The InChIKey is GKIFDLCZDAFXFA-BZSJEYESSA-N. The full InChI is InChI=1S/C24H26ClN5O3S/c1-13-5-15(25)7-19(18(13)8-16-10-26-3-4-33-16)22-23-20(27-12-28-22)9-17(34-23)11-30-21(31)6-14(2)29-24(30)32/h5,7,9,12,14,16,26H,3-4,6,8,10-11H2,1-2H3,(H,29,32)/t14?,16-/m1/s1.

What are the key properties of 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?

3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione has a molecular weight of 500.02 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 146445361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).