4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine

C12H12ClN3O2 — CID 80739225

IUPAC4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
SMILESCOc1cc(C)ccc1Oc1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12ClN3O2/c1-7-3-4-8(9(5-7)17-2)18-11-6-10(13)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyPCXUBPKPABPAJU-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.82
Rot. Bonds3

About 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine

4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine (PubChem CID 80739225) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
PubChem CID80739225
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
SMILESCOc1cc(C)ccc1Oc1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12ClN3O2/c1-7-3-4-8(9(5-7)17-2)18-11-6-10(13)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyPCXUBPKPABPAJU-UHFFFAOYSA-N
XLogP2.82
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(2-methoxy-4-methylphenoxy)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

Related Compounds

4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715215
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
CID 80874331
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine (CID 80739225) is 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine is COc1cc(C)ccc1Oc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine?
The InChIKey is PCXUBPKPABPAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-3-4-8(9(5-7)17-2)18-11-6-10(13)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine?
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80739225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).