2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C24H33N5O2 — CID 53233733

IUPAC2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESc1cc(-c2nc3c(c(NCCCN4CCCC4)n2)COC3)ccc1CN1CCOCC1
InChIInChI=1S/C24H33N5O2/c1-2-10-28(9-1)11-3-8-25-24-21-17-31-18-22(21)26-23(27-24)20-6-4-19(5-7-20)16-29-12-14-30-15-13-29/h4-7H,1-3,8-18H2,(H,25,26,27)
InChIKeyMGZCOYRNJWFIPE-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.90
Rot. Bonds8

About 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 53233733) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID53233733
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESc1cc(-c2nc3c(c(NCCCN4CCCC4)n2)COC3)ccc1CN1CCOCC1
InChIInChI=1S/C24H33N5O2/c1-2-10-28(9-1)11-3-8-25-24-21-17-31-18-22(21)26-23(27-24)20-6-4-19(5-7-20)16-29-12-14-30-15-13-29/h4-7H,1-3,8-18H2,(H,25,26,27)
InChIKeyMGZCOYRNJWFIPE-UHFFFAOYSA-N
XLogP2.90
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 53233733) is 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is c1cc(-c2nc3c(c(NCCCN4CCCC4)n2)COC3)ccc1CN1CCOCC1.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is MGZCOYRNJWFIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-2-10-28(9-1)11-3-8-25-24-21-17-31-18-22(21)26-23(27-24)20-6-4-19(5-7-20)16-29-12-14-30-15-13-29/h4-7H,1-3,8-18H2,(H,25,26,27).
What are the key properties of 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 423.56 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53233733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).