4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine

C15H19N3O — CID 136524880

IUPAC4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(N2CCC(c3ccco3)C2)n1
InChIInChI=1S/C15H19N3O/c1-11(2)15-16-7-5-14(17-15)18-8-6-12(10-18)13-4-3-9-19-13/h3-5,7,9,11-12H,6,8,10H2,1-2H3
InChIKeyRMAYYIPAXXSFJG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.19
Rot. Bonds3

About 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine

4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine (PubChem CID 136524880) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
PubChem CID136524880
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(N2CCC(c3ccco3)C2)n1
InChIInChI=1S/C15H19N3O/c1-11(2)15-16-7-5-14(17-15)18-8-6-12(10-18)13-4-3-9-19-13/h3-5,7,9,11-12H,6,8,10H2,1-2H3
InChIKeyRMAYYIPAXXSFJG-UHFFFAOYSA-N
XLogP3.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine (CID 136524880) is 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(N2CCC(c3ccco3)C2)n1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
The InChIKey is RMAYYIPAXXSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)15-16-7-5-14(17-15)18-8-6-12(10-18)13-4-3-9-19-13/h3-5,7,9,11-12H,6,8,10H2,1-2H3.
What are the key properties of 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine has a molecular weight of 257.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 136524880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).