4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine

C11H14ClN3 — CID 10149134

IUPAC4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC1
InChIInChI=1S/C11H14ClN3/c1-7-9(12)13-10(8-3-4-8)14-11(7)15-5-2-6-15/h8H,2-6H2,1H3
InChIKeyRGSFUDBSIKZXQJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.53
Rot. Bonds2

About 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine

4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine (PubChem CID 10149134) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
PubChem CID10149134
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC1
InChIInChI=1S/C11H14ClN3/c1-7-9(12)13-10(8-3-4-8)14-11(7)15-5-2-6-15/h8H,2-6H2,1H3
InChIKeyRGSFUDBSIKZXQJ-UHFFFAOYSA-N
XLogP2.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine 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 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine (CID 10149134) is 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is RGSFUDBSIKZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7-9(12)13-10(8-3-4-8)14-11(7)15-5-2-6-15/h8H,2-6H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 223.71 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 10149134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).