7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine

C24H29ClN10OS — CID 126564979

About 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine

7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 126564979) has the molecular formula C24H29ClN10OS and a molecular weight of 541.09 g/mol. Its IUPAC name is 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 126564979
• Molecular Formula: C24H29ClN10OS
• Molecular Weight: 541.09 g/mol
• Exact Mass: 540.19
• IUPAC Name: 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine
• SMILES: CCc1[nH]c2nc(Sc3cnc4c(N)nc(CN5CCOCC5)nc4c3)nc(N3CCC(N)C3)c2c1Cl
• InChI: InChI=1S/C24H29ClN10OS/c1-2-15-19(25)18-22(30-15)32-24(33-23(18)35-4-3-13(26)11-35)37-14-9-16-20(28-10-14)21(27)31-17(29-16)12-34-5-7-36-8-6-34/h9-10,13H,2-8,11-12,26H2,1H3,(H2,27,29,31)(H,30,32,33)
• InChIKey: FWIBDMCTUWKAPW-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 147.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.09
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine (CID 126564979) is 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine is CCc1[nH]c2nc(Sc3cnc4c(N)nc(CN5CCOCC5)nc4c3)nc(N3CCC(N)C3)c2c1Cl.

What is the InChIKey of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is FWIBDMCTUWKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN10OS/c1-2-15-19(25)18-22(30-15)32-24(33-23(18)35-4-3-13(26)11-35)37-14-9-16-20(28-10-14)21(27)31-17(29-16)12-34-5-7-36-8-6-34/h9-10,13H,2-8,11-12,26H2,1H3,(H2,27,29,31)(H,30,32,33).

What are the key properties of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?

7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 541.09 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 126564979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).