N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine

C27H28Cl2N6O — CID 11606107

About N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine

N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 11606107) has the molecular formula C27H28Cl2N6O and a molecular weight of 523.47 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 11606107
• Molecular Formula: C27H28Cl2N6O
• Molecular Weight: 523.47 g/mol
• Exact Mass: 522.17
• IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
• SMILES: C[C@@H]1CN(Cc2nc(NCCc3ccccc3Cl)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1
• InChI: InChI=1S/C27H28Cl2N6O/c1-17-14-35(15-18(2)36-17)16-24-33-23-12-20(25-22(29)8-5-10-30-25)13-32-26(23)27(34-24)31-11-9-19-6-3-4-7-21(19)28/h3-8,10,12-13,17-18H,9,11,14-16H2,1-2H3,(H,31,33,34)/t17-,18+
• InChIKey: BMTSILBPFWUKFH-HDICACEKSA-N
• XLogP: 5.66
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.47
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine (CID 11606107) is N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine.

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

The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine is C[C@@H]1CN(Cc2nc(NCCc3ccccc3Cl)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1.

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

The InChIKey is BMTSILBPFWUKFH-HDICACEKSA-N. The full InChI is InChI=1S/C27H28Cl2N6O/c1-17-14-35(15-18(2)36-17)16-24-33-23-12-20(25-22(29)8-5-10-30-25)13-32-26(23)27(34-24)31-11-9-19-6-3-4-7-21(19)28/h3-8,10,12-13,17-18H,9,11,14-16H2,1-2H3,(H,31,33,34)/t17-,18+.

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

N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 523.47 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11606107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).