2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine

C11H11N3O — CID 154829188

IUPAC2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine
SMILESc1cc(-c2cnc(N3CCC3)nc2)co1
InChIInChI=1S/C11H11N3O/c1-3-14(4-1)11-12-6-10(7-13-11)9-2-5-15-8-9/h2,5-8H,1,3-4H2
InChIKeyGGXHBLFZPVBAHV-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.95
Rot. Bonds2

About 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine

2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine (PubChem CID 154829188) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine
PubChem CID154829188
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine
SMILESc1cc(-c2cnc(N3CCC3)nc2)co1
InChIInChI=1S/C11H11N3O/c1-3-14(4-1)11-12-6-10(7-13-11)9-2-5-15-8-9/h2,5-8H,1,3-4H2
InChIKeyGGXHBLFZPVBAHV-UHFFFAOYSA-N
XLogP1.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
2-(azetidin-1-yl)-4-bromopyrimidine
CID 151172856
5-(furan-3-yl)-3-methylpyridin-2-amine
CID 83170875
N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 141177532
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
CID 116976141
8-[5-(4-chlorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3594725
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine (CID 154829188) is 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine is c1cc(-c2cnc(N3CCC3)nc2)co1.
What is the InChIKey of 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine?
The InChIKey is GGXHBLFZPVBAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-3-14(4-1)11-12-6-10(7-13-11)9-2-5-15-8-9/h2,5-8H,1,3-4H2.
What are the key properties of 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine?
2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine has a molecular weight of 201.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine is sourced from PubChem (CID 154829188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).