2-(azetidin-3-yl)-5-cyclopropylpyrimidine

C10H13N3 — CID 59418290

IUPAC2-(azetidin-3-yl)-5-cyclopropylpyrimidine
SMILESc1nc(C2CNC2)ncc1C1CC1
InChIInChI=1S/C10H13N3/c1-2-7(1)8-5-12-10(13-6-8)9-3-11-4-9/h5-7,9,11H,1-4H2
InChIKeyMMJBMCLTMMPAFS-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.04
Rot. Bonds2

About 2-(azetidin-3-yl)-5-cyclopropylpyrimidine

2-(azetidin-3-yl)-5-cyclopropylpyrimidine (PubChem CID 59418290) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-cyclopropylpyrimidine
PubChem CID59418290
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(azetidin-3-yl)-5-cyclopropylpyrimidine
SMILESc1nc(C2CNC2)ncc1C1CC1
InChIInChI=1S/C10H13N3/c1-2-7(1)8-5-12-10(13-6-8)9-3-11-4-9/h5-7,9,11H,1-4H2
InChIKeyMMJBMCLTMMPAFS-UHFFFAOYSA-N
XLogP1.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-5-cyclopropylpyrimidine 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 2-(azetidin-3-yl)-5-cyclopropylpyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-5-cyclopropylpyrimidine (CID 59418290) is 2-(azetidin-3-yl)-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-cyclopropylpyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-5-cyclopropylpyrimidine is c1nc(C2CNC2)ncc1C1CC1.
What is the InChIKey of 2-(azetidin-3-yl)-5-cyclopropylpyrimidine?
The InChIKey is MMJBMCLTMMPAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-7(1)8-5-12-10(13-6-8)9-3-11-4-9/h5-7,9,11H,1-4H2.
What are the key properties of 2-(azetidin-3-yl)-5-cyclopropylpyrimidine?
2-(azetidin-3-yl)-5-cyclopropylpyrimidine has a molecular weight of 175.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-cyclopropylpyrimidine is sourced from PubChem (CID 59418290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).