5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine

C9H12ClN3O — CID 106207418

IUPAC5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCCC2CC2)n1
InChIInChI=1S/C9H12ClN3O/c10-7-5-12-9(11)13-8(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyIAGPHUYVEASJIX-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.89
Rot. Bonds4

About 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine

5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine (PubChem CID 106207418) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
PubChem CID106207418
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCCC2CC2)n1
InChIInChI=1S/C9H12ClN3O/c10-7-5-12-9(11)13-8(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyIAGPHUYVEASJIX-UHFFFAOYSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine 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-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine (CID 106207418) is 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine is Nc1ncc(Cl)c(OCCC2CC2)n1.
What is the InChIKey of 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine?
The InChIKey is IAGPHUYVEASJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-12-9(11)13-8(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H2,11,12,13).
What are the key properties of 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine?
5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine has a molecular weight of 213.67 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 106207418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).