N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine

C28H32ClN7O — CID 22030011

About N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine

N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 22030011) has the molecular formula C28H32ClN7O and a molecular weight of 518.07 g/mol. Its IUPAC name is N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 22030011
• Molecular Formula: C28H32ClN7O
• Molecular Weight: 518.07 g/mol
• Exact Mass: 517.24
• IUPAC Name: N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
• SMILES: CC1CN(Cc2nc(Nc3ccc(C(C)(C)C)nc3)c3ncc(-c4ncccc4Cl)cc3n2)CC(C)O1
• InChI: InChI=1S/C28H32ClN7O/c1-17-14-36(15-18(2)37-17)16-24-34-22-11-19(25-21(29)7-6-10-30-25)12-32-26(22)27(35-24)33-20-8-9-23(31-13-20)28(3,4)5/h6-13,17-18H,14-16H2,1-5H3,(H,33,34,35)
• InChIKey: NAZLRGRGJGIVLL-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 88.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.07
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine (CID 22030011) is N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine is CC1CN(Cc2nc(Nc3ccc(C(C)(C)C)nc3)c3ncc(-c4ncccc4Cl)cc3n2)CC(C)O1.

What is the InChIKey of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is NAZLRGRGJGIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN7O/c1-17-14-36(15-18(2)37-17)16-24-34-22-11-19(25-21(29)7-6-10-30-25)12-32-26(22)27(35-24)33-20-8-9-23(31-13-20)28(3,4)5/h6-13,17-18H,14-16H2,1-5H3,(H,33,34,35).

What are the key properties of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine?

N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 518.07 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 22030011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).