5-(azetidin-1-yl)-2-propan-2-ylpyrimidine

C10H15N3 — CID 170405320

IUPAC5-(azetidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(N2CCC2)cn1
InChIInChI=1S/C10H15N3/c1-8(2)10-11-6-9(7-12-10)13-4-3-5-13/h6-8H,3-5H2,1-2H3
InChIKeyAJQCKOYSDLIERX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.81
Rot. Bonds2

About 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine

5-(azetidin-1-yl)-2-propan-2-ylpyrimidine (PubChem CID 170405320) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(azetidin-1-yl)-2-propan-2-ylpyrimidine
PubChem CID170405320
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-(azetidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(N2CCC2)cn1
InChIInChI=1S/C10H15N3/c1-8(2)10-11-6-9(7-12-10)13-4-3-5-13/h6-8H,3-5H2,1-2H3
InChIKeyAJQCKOYSDLIERX-UHFFFAOYSA-N
XLogP1.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine (CID 170405320) is 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine is CC(C)c1ncc(N2CCC2)cn1.
What is the InChIKey of 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine?
The InChIKey is AJQCKOYSDLIERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)10-11-6-9(7-12-10)13-4-3-5-13/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine?
5-(azetidin-1-yl)-2-propan-2-ylpyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 170405320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).