4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine

C20H20ClN3O2 — CID 19153202

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1C
InChIInChI=1S/C20H20ClN3O2/c1-11-5-6-15(7-12(11)2)25-19-18(22)20(24-10-23-19)26-16-8-13(3)17(21)14(4)9-16/h5-10H,22H2,1-4H3
InChIKeyVRLJMGVELREPME-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.53
Rot. Bonds4

About 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine

4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine (PubChem CID 19153202) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
PubChem CID19153202
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1C
InChIInChI=1S/C20H20ClN3O2/c1-11-5-6-15(7-12(11)2)25-19-18(22)20(24-10-23-19)26-16-8-13(3)17(21)14(4)9-16/h5-10H,22H2,1-4H3
InChIKeyVRLJMGVELREPME-UHFFFAOYSA-N
XLogP5.53
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144528
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141067
4-N-(4-butoxyphenyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 19143073
4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19152831
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
6-(3,4-dimethylphenoxy)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148973
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine (CID 19153202) is 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1C.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The InChIKey is VRLJMGVELREPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-11-5-6-15(7-12(11)2)25-19-18(22)20(24-10-23-19)26-16-8-13(3)17(21)14(4)9-16/h5-10H,22H2,1-4H3.
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine has a molecular weight of 369.85 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19153202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).