6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine

C13H13Cl2N3O — CID 80935640

IUPAC6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-3-12-17-11(15)7-13(18-12)16-10-6-8(19-2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyORUUDZGNMPIQSI-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.10
Rot. Bonds4

About 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine

6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine (PubChem CID 80935640) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
PubChem CID80935640
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-3-12-17-11(15)7-13(18-12)16-10-6-8(19-2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyORUUDZGNMPIQSI-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-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 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine (CID 80935640) is 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2cc(OC)ccc2Cl)n1.
What is the InChIKey of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is ORUUDZGNMPIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-3-12-17-11(15)7-13(18-12)16-10-6-8(19-2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine?
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).