[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide

C21H23Cl2N6O3- — CID 142381129

About [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide

[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide (PubChem CID 142381129) has the molecular formula C21H23Cl2N6O3- and a molecular weight of 478.36 g/mol. Its IUPAC name is [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide.

Molecular Properties

• Compound Name: [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide
• PubChem CID: 142381129
• Molecular Formula: C21H23Cl2N6O3-
• Molecular Weight: 478.36 g/mol
• Exact Mass: 477.12
• IUPAC Name: [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide
• SMILES: COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c([N-]CCN3CCOCC3)n2)c1Cl
• InChI: InChI=1S/C21H23Cl2N6O3/c1-30-14-10-15(31-2)18(23)16(17(14)22)13-9-12-11-26-21(24)28-19(12)20(27-13)25-3-4-29-5-7-32-8-6-29/h9-11H,3-8H2,1-2H3,(H2-,24,25,26,27,28)/q-1
• InChIKey: VDBMEKQVPAENIE-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 109.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.36
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide?

The IUPAC name of [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide (CID 142381129) is [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide.

What is the SMILES notation for [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide?

The canonical SMILES for [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c([N-]CCN3CCOCC3)n2)c1Cl.

What is the InChIKey of [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide?

The InChIKey is VDBMEKQVPAENIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N6O3/c1-30-14-10-15(31-2)18(23)16(17(14)22)13-9-12-11-26-21(24)28-19(12)20(27-13)25-3-4-29-5-7-32-8-6-29/h9-11H,3-8H2,1-2H3,(H2-,24,25,26,27,28)/q-1.

What are the key properties of [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide?

[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide has a molecular weight of 478.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide is sourced from PubChem (CID 142381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).