6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C33H37N5O4 — CID 59353123

About 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 59353123) has the molecular formula C33H37N5O4 and a molecular weight of 567.69 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 59353123
• Molecular Formula: C33H37N5O4
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.28
• IUPAC Name: 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CCCOc1ccc(OCCC)c(-c2c(CN)c(NCc3ccc4ccccc4c3)nc3c2c(=O)n(C)c(=O)n3C)c1
• InChI: InChI=1S/C33H37N5O4/c1-5-15-41-24-13-14-27(42-16-6-2)25(18-24)28-26(19-34)30(36-31-29(28)32(39)38(4)33(40)37(31)3)35-20-21-11-12-22-9-7-8-10-23(22)17-21/h7-14,17-18H,5-6,15-16,19-20,34H2,1-4H3,(H,35,36)
• InChIKey: HPNQUGXWABCPQX-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 113.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 59353123) is 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione is CCCOc1ccc(OCCC)c(-c2c(CN)c(NCc3ccc4ccccc4c3)nc3c2c(=O)n(C)c(=O)n3C)c1.

What is the InChIKey of 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is HPNQUGXWABCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O4/c1-5-15-41-24-13-14-27(42-16-6-2)25(18-24)28-26(19-34)30(36-31-29(28)32(39)38(4)33(40)37(31)3)35-20-21-11-12-22-9-7-8-10-23(22)17-21/h7-14,17-18H,5-6,15-16,19-20,34H2,1-4H3,(H,35,36).

What are the key properties of 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione?

6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 567.69 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59353123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).