5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine

C13H11Cl2N3O2 — CID 71682988

IUPAC5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nc(C2OCCO2)c1Cl
InChIInChI=1S/C13H11Cl2N3O2/c14-8-3-1-7(2-4-8)12-17-10(9(15)11(16)18-12)13-19-5-6-20-13/h1-4,13H,5-6H2,(H2,16,17,18)
InChIKeyCEPKETPIFJNZJL-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.08
Rot. Bonds2

About 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine

5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine (PubChem CID 71682988) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine
PubChem CID71682988
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nc(C2OCCO2)c1Cl
InChIInChI=1S/C13H11Cl2N3O2/c14-8-3-1-7(2-4-8)12-17-10(9(15)11(16)18-12)13-19-5-6-20-13/h1-4,13H,5-6H2,(H2,16,17,18)
InChIKeyCEPKETPIFJNZJL-UHFFFAOYSA-N
XLogP3.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-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-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine (CID 71682988) is 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine is Nc1nc(-c2ccc(Cl)cc2)nc(C2OCCO2)c1Cl.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine?
The InChIKey is CEPKETPIFJNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-8-3-1-7(2-4-8)12-17-10(9(15)11(16)18-12)13-19-5-6-20-13/h1-4,13H,5-6H2,(H2,16,17,18).
What are the key properties of 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine?
5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine has a molecular weight of 312.16 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-6-(1,3-dioxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 71682988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).