6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine

C20H22N4O — CID 22540722

IUPAC6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
SMILESCc1cc(C)cc(Oc2ncnc(Nc3ccc(C)cc3C)c2N)c1
InChIInChI=1S/C20H22N4O/c1-12-5-6-17(15(4)8-12)24-19-18(21)20(23-11-22-19)25-16-9-13(2)7-14(3)10-16/h5-11H,21H2,1-4H3,(H,22,23,24)
InChIKeyVMOSXOLXCIIIOU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.83
Rot. Bonds4

About 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine

6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine (PubChem CID 22540722) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
PubChem CID22540722
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
SMILESCc1cc(C)cc(Oc2ncnc(Nc3ccc(C)cc3C)c2N)c1
InChIInChI=1S/C20H22N4O/c1-12-5-6-17(15(4)8-12)24-19-18(21)20(23-11-22-19)25-16-9-13(2)7-14(3)10-16/h5-11H,21H2,1-4H3,(H,22,23,24)
InChIKeyVMOSXOLXCIIIOU-UHFFFAOYSA-N
XLogP4.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine 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-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
4-N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540817
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540745
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19143282
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540813
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 22540736
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine (CID 22540722) is 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine is Cc1cc(C)cc(Oc2ncnc(Nc3ccc(C)cc3C)c2N)c1.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
The InChIKey is VMOSXOLXCIIIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-12-5-6-17(15(4)8-12)24-19-18(21)20(23-11-22-19)25-16-9-13(2)7-14(3)10-16/h5-11H,21H2,1-4H3,(H,22,23,24).
What are the key properties of 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine?
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22540722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).