ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine

C34H42N6O3 — CID 143935882

About ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine

ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine (PubChem CID 143935882) has the molecular formula C34H42N6O3 and a molecular weight of 582.75 g/mol. Its IUPAC name is ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine.

Molecular Properties

• Compound Name: ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
• PubChem CID: 143935882
• Molecular Formula: C34H42N6O3
• Molecular Weight: 582.75 g/mol
• Exact Mass: 582.33
• IUPAC Name: ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
• SMILES: CC.COCCN1CCc2c(nc(-c3ccc(Nc4cccc(OCc5ccccc5)n4)cc3)nc2N2CCOCC2)C1
• InChI: InChI=1S/C32H36N6O3.C2H6/c1-39-19-16-37-15-14-27-28(22-37)34-31(36-32(27)38-17-20-40-21-18-38)25-10-12-26(13-11-25)33-29-8-5-9-30(35-29)41-23-24-6-3-2-4-7-24;1-2/h2-13H,14-23H2,1H3,(H,33,35);1-2H3
• InChIKey: ZROSVYLVPRHWRB-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 84.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.75
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?

The IUPAC name of ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine (CID 143935882) is ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine.

What is the SMILES notation for ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?

The canonical SMILES for ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine is CC.COCCN1CCc2c(nc(-c3ccc(Nc4cccc(OCc5ccccc5)n4)cc3)nc2N2CCOCC2)C1.

What is the InChIKey of ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?

The InChIKey is ZROSVYLVPRHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O3.C2H6/c1-39-19-16-37-15-14-27-28(22-37)34-31(36-32(27)38-17-20-40-21-18-38)25-10-12-26(13-11-25)33-29-8-5-9-30(35-29)41-23-24-6-3-2-4-7-24;1-2/h2-13H,14-23H2,1H3,(H,33,35);1-2H3.

What are the key properties of ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?

ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine has a molecular weight of 582.75 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[4-[7-(2-methoxyethyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 143935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).