3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride

C16H20ClN7 — CID 67330877

About 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride

3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride (PubChem CID 67330877) has the molecular formula C16H20ClN7 and a molecular weight of 345.84 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride
• PubChem CID: 67330877
• Molecular Formula: C16H20ClN7
• Molecular Weight: 345.84 g/mol
• Exact Mass: 345.15
• IUPAC Name: 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride
• SMILES: Cl.Nc1nccc(-c2c[nH]c3nccc(NCC4CCNC4)c23)n1
• InChI: InChI=1S/C16H19N7.ClH/c17-16-20-6-2-12(23-16)11-9-22-15-14(11)13(3-5-19-15)21-8-10-1-4-18-7-10;/h2-3,5-6,9-10,18H,1,4,7-8H2,(H2,17,20,23)(H2,19,21,22);1H
• InChIKey: WFSBVDXXGKOZRM-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 104.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.84
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride?

The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride (CID 67330877) is 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride.

What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride?

The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride is Cl.Nc1nccc(-c2c[nH]c3nccc(NCC4CCNC4)c23)n1.

What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride?

The InChIKey is WFSBVDXXGKOZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7.ClH/c17-16-20-6-2-12(23-16)11-9-22-15-14(11)13(3-5-19-15)21-8-10-1-4-18-7-10;/h2-3,5-6,9-10,18H,1,4,7-8H2,(H2,17,20,23)(H2,19,21,22);1H.

What are the key properties of 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride?

3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride has a molecular weight of 345.84 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminopyrimidin-4-yl)-N-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 67330877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).