4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C24H33N5O2 — CID 147592003

About 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 147592003) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 147592003
• Molecular Formula: C24H33N5O2
• Molecular Weight: 423.56 g/mol
• Exact Mass: 423.26
• IUPAC Name: 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(C(C)C)C3)CC(=O)C2
• InChI: InChI=1S/C24H33N5O2/c1-4-5-10-31-24-26-22(25)21-12-20(30)15-29(23(21)27-24)13-17-6-7-19-14-28(16(2)3)9-8-18(19)11-17/h6-7,11,16H,4-5,8-10,12-15H2,1-3H3,(H2,25,26,27)
• InChIKey: FYLYSBNVIWAWAP-UHFFFAOYSA-N
• XLogP: 3.14
• 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	423.56
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 147592003) is 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(C(C)C)C3)CC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is FYLYSBNVIWAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-4-5-10-31-24-26-22(25)21-12-20(30)15-29(23(21)27-24)13-17-6-7-19-14-28(16(2)3)9-8-18(19)11-17/h6-7,11,16H,4-5,8-10,12-15H2,1-3H3,(H2,25,26,27).

What are the key properties of 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 423.56 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 147592003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).