4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C24H31N5O2 — CID 147391433

About 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 147391433) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 147391433
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CC1(COc2nc(N)c3c(n2)N(Cc2cccc(CN4CCCC4)c2)CC(=O)C3)CC1
• InChI: InChI=1S/C24H31N5O2/c1-24(7-8-24)16-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-18-6-4-5-17(11-18)13-28-9-2-3-10-28/h4-6,11H,2-3,7-10,12-16H2,1H3,(H2,25,26,27)
• InChIKey: DMYDGBKUUZFSCN-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 84.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 147391433) is 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CC1(COc2nc(N)c3c(n2)N(Cc2cccc(CN4CCCC4)c2)CC(=O)C3)CC1.

What is the InChIKey of 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is DMYDGBKUUZFSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-24(7-8-24)16-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-18-6-4-5-17(11-18)13-28-9-2-3-10-28/h4-6,11H,2-3,7-10,12-16H2,1H3,(H2,25,26,27).

What are the key properties of 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 421.55 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[(1-methylcyclopropyl)methoxy]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 147391433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).