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

C11H10ClN3O — CID 748214

IUPAC4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C11H10ClN3O/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyRJYGRPLECYSURD-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.81
Rot. Bonds2

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

4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine (PubChem CID 748214) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
PubChem CID748214
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C11H10ClN3O/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyRJYGRPLECYSURD-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(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

2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
CID 83235895
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
CID 47159152
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80740168
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
4,6-dichloro-2-(4-methylphenoxy)pyrimidine
CID 10800977
5-(2-amino-6-chloropyrimidin-4-yl)oxy-2-bromobenzaldehyde
CID 133384803
4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline
CID 133056152
4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine (CID 748214) is 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine is Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine?
The InChIKey is RJYGRPLECYSURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine?
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).