4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine

C13H20N4 — CID 123378723

IUPAC4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine
SMILESC=C1N=C(N2CCC2)C=C(N2CCCC2)N1C
InChIInChI=1S/C13H20N4/c1-11-14-12(16-8-5-9-16)10-13(15(11)2)17-6-3-4-7-17/h10H,1,3-9H2,2H3
InChIKeyYPICOISOIXILOB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.44
Rot. Bonds1

About 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine

4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine (PubChem CID 123378723) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine
PubChem CID123378723
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine
SMILESC=C1N=C(N2CCC2)C=C(N2CCCC2)N1C
InChIInChI=1S/C13H20N4/c1-11-14-12(16-8-5-9-16)10-13(15(11)2)17-6-3-4-7-17/h10H,1,3-9H2,2H3
InChIKeyYPICOISOIXILOB-UHFFFAOYSA-N
XLogP1.44
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine (CID 123378723) is 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine is C=C1N=C(N2CCC2)C=C(N2CCCC2)N1C.
What is the InChIKey of 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is YPICOISOIXILOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-14-12(16-8-5-9-16)10-13(15(11)2)17-6-3-4-7-17/h10H,1,3-9H2,2H3.
What are the key properties of 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine?
4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 232.33 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 123378723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).