4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine

C14H21N5 — CID 58227118

IUPAC4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine
SMILESNC1CN(c2ccnc(NC3CC4CCC3C4)n2)C1
InChIInChI=1S/C14H21N5/c15-11-7-19(8-11)13-3-4-16-14(18-13)17-12-6-9-1-2-10(12)5-9/h3-4,9-12H,1-2,5-8,15H2,(H,16,17,18)
InChIKeyWNBLIQJREQODKT-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.22
Rot. Bonds3

About 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine

4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine (PubChem CID 58227118) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine
PubChem CID58227118
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine
SMILESNC1CN(c2ccnc(NC3CC4CCC3C4)n2)C1
InChIInChI=1S/C14H21N5/c15-11-7-19(8-11)13-3-4-16-14(18-13)17-12-6-9-1-2-10(12)5-9/h3-4,9-12H,1-2,5-8,15H2,(H,16,17,18)
InChIKeyWNBLIQJREQODKT-UHFFFAOYSA-N
XLogP1.22
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine (CID 58227118) is 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine is NC1CN(c2ccnc(NC3CC4CCC3C4)n2)C1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
The InChIKey is WNBLIQJREQODKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-11-7-19(8-11)13-3-4-16-14(18-13)17-12-6-9-1-2-10(12)5-9/h3-4,9-12H,1-2,5-8,15H2,(H,16,17,18).
What are the key properties of 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine is sourced from PubChem (CID 58227118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).