4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine

C11H10ClN3O2 — CID 748222

IUPAC4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
SMILESCOc1cccc(Oc2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C11H10ClN3O2/c1-16-7-3-2-4-8(5-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyHLXARJOMSQVZJX-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.51
Rot. Bonds3

About 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine

4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine (PubChem CID 748222) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
PubChem CID748222
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
SMILESCOc1cccc(Oc2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C11H10ClN3O2/c1-16-7-3-2-4-8(5-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyHLXARJOMSQVZJX-UHFFFAOYSA-N
XLogP2.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(3-methoxyphenoxy)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-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
CID 10945667
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-(2-Fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 2218394
4-Fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine
CID 779695
4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine
CID 389506
4-Chloro-6-phenoxypyrimidine
CID 11593677
4-(4-Chlorophenoxy)-6-methyl-2-pyrimidinamine
CID 14724240
4-Fluoro-6-phenoxypyrimidin-2-amine
CID 748216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine (CID 748222) is 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine is COc1cccc(Oc2cc(Cl)nc(N)n2)c1.
What is the InChIKey of 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine?
The InChIKey is HLXARJOMSQVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-16-7-3-2-4-8(5-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine?
4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine has a molecular weight of 251.67 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 748222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).