2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C26H33N5O — CID 159014946

About 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159014946) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 159014946
• Molecular Formula: C26H33N5O
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.27
• IUPAC Name: 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OC3C[C@@H]4C[C@@H]4C3)nc2N(Cc2cccc(CN3CCCC3)c2)C1
• InChI: InChI=1S/C26H33N5O/c1-17-9-23-24(27)28-26(32-22-12-20-11-21(20)13-22)29-25(23)31(14-17)16-19-6-4-5-18(10-19)15-30-7-2-3-8-30/h4-6,10,20-22H,1-3,7-9,11-16H2,(H2,27,28,29)/t20-,21+,22?
• InChIKey: QZEYFXDYAJRZQJ-CBQGHPETSA-N
• XLogP: 3.95
• TPSA: 67.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 159014946) is 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OC3C[C@@H]4C[C@@H]4C3)nc2N(Cc2cccc(CN3CCCC3)c2)C1.

What is the InChIKey of 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is QZEYFXDYAJRZQJ-CBQGHPETSA-N. The full InChI is InChI=1S/C26H33N5O/c1-17-9-23-24(27)28-26(32-22-12-20-11-21(20)13-22)29-25(23)31(14-17)16-19-6-4-5-18(10-19)15-30-7-2-3-8-30/h4-6,10,20-22H,1-3,7-9,11-16H2,(H2,27,28,29)/t20-,21+,22?.

What are the key properties of 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 431.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159014946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).