7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine

C23H22ClN5O — CID 10070729

About 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 10070729) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 10070729
• Molecular Formula: C23H22ClN5O
• Molecular Weight: 419.92 g/mol
• Exact Mass: 419.15
• IUPAC Name: 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
• SMILES: COCc1nc(Nc2ccc(C(C)C)cc2)c2ncc(-c3ncccc3Cl)cc2n1
• InChI: InChI=1S/C23H22ClN5O/c1-14(2)15-6-8-17(9-7-15)27-23-22-19(28-20(29-23)13-30-3)11-16(12-26-22)21-18(24)5-4-10-25-21/h4-12,14H,13H2,1-3H3,(H,27,28,29)
• InChIKey: RXUUVIFTGQLYPU-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 72.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.92
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 10070729) is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine is COCc1nc(Nc2ccc(C(C)C)cc2)c2ncc(-c3ncccc3Cl)cc2n1.

What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is RXUUVIFTGQLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-14(2)15-6-8-17(9-7-15)27-23-22-19(28-20(29-23)13-30-3)11-16(12-26-22)21-18(24)5-4-10-25-21/h4-12,14H,13H2,1-3H3,(H,27,28,29).

What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?

7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 419.92 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10070729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).