2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C20H25N3O — CID 118723357

IUPAC2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(OCCCN4CCCC4)n2)CCC3)cc1
InChIInChI=1S/C20H25N3O/c1-2-8-16(9-3-1)19-21-18-11-6-10-17(18)20(22-19)24-15-7-14-23-12-4-5-13-23/h1-3,8-9H,4-7,10-15H2
InChIKeyWYBRKTNJLXDGAN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.50
Rot. Bonds6

About 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 118723357) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID118723357
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(OCCCN4CCCC4)n2)CCC3)cc1
InChIInChI=1S/C20H25N3O/c1-2-8-16(9-3-1)19-21-18-11-6-10-17(18)20(22-19)24-15-7-14-23-12-4-5-13-23/h1-3,8-9H,4-7,10-15H2
InChIKeyWYBRKTNJLXDGAN-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 6433114
CID 6433114
CID 9800750
CID 9800750
CID 118723352
CID 118723352
CID 21760780
CID 21760780
CID 118722990
CID 118722990
CID 118722991
CID 118722991
CID 118722992
CID 118722992
CID 118722993
CID 118722993
CID 118722994
CID 118722994
CID 118722995
CID 118722995
CID 118722996
CID 118722996
CID 118722997
CID 118722997

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 118723357) is 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(-c2nc3c(c(OCCCN4CCCC4)n2)CCC3)cc1.
What is the InChIKey of 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is WYBRKTNJLXDGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-8-16(9-3-1)19-21-18-11-6-10-17(18)20(22-19)24-15-7-14-23-12-4-5-13-23/h1-3,8-9H,4-7,10-15H2.
What are the key properties of 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 323.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 118723357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).