5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

C18H18N4O — CID 135118843

IUPAC5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2ncc(CN3CCCC3c3ccco3)cn2)nc1
InChIInChI=1S/C18H18N4O/c1-2-8-19-15(5-1)18-20-11-14(12-21-18)13-22-9-3-6-16(22)17-7-4-10-23-17/h1-2,4-5,7-8,10-12,16H,3,6,9,13H2
InChIKeyYMZLQYRAKLJFOM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.47
Rot. Bonds4

About 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 135118843) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
PubChem CID135118843
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2ncc(CN3CCCC3c3ccco3)cn2)nc1
InChIInChI=1S/C18H18N4O/c1-2-8-19-15(5-1)18-20-11-14(12-21-18)13-22-9-3-6-16(22)17-7-4-10-23-17/h1-2,4-5,7-8,10-12,16H,3,6,9,13H2
InChIKeyYMZLQYRAKLJFOM-UHFFFAOYSA-N
XLogP3.47
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (CID 135118843) is 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is c1ccc(-c2ncc(CN3CCCC3c3ccco3)cn2)nc1.
What is the InChIKey of 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is YMZLQYRAKLJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-8-19-15(5-1)18-20-11-14(12-21-18)13-22-9-3-6-16(22)17-7-4-10-23-17/h1-2,4-5,7-8,10-12,16H,3,6,9,13H2.
What are the key properties of 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 306.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 135118843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).