4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine

C13H14ClN3O — CID 702419

IUPAC4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine
SMILESCCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C13H14ClN3O/c1-2-3-9-4-6-10(7-5-9)18-12-8-11(14)16-13(15)17-12/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyUCVYHUDBTYHXKP-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.46
Rot. Bonds4

About 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine

4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine (PubChem CID 702419) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine
PubChem CID702419
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine
SMILESCCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C13H14ClN3O/c1-2-3-9-4-6-10(7-5-9)18-12-8-11(14)16-13(15)17-12/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyUCVYHUDBTYHXKP-UHFFFAOYSA-N
XLogP3.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(4-propylphenoxy)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 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine (CID 702419) is 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine is CCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine?
The InChIKey is UCVYHUDBTYHXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-3-9-4-6-10(7-5-9)18-12-8-11(14)16-13(15)17-12/h4-8H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine?
4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-propylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 702419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).