6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

C18H18N4O2 — CID 19148333

IUPAC6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3cccc(C)c3)c2N)cc1
InChIInChI=1S/C18H18N4O2/c1-12-4-3-5-13(10-12)22-17-16(19)18(21-11-20-17)24-15-8-6-14(23-2)7-9-15/h3-11H,19H2,1-2H3,(H,20,21,22)
InChIKeyWUXDWRZWZJEPIG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.91
Rot. Bonds5

About 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 19148333) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
PubChem CID19148333
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3cccc(C)c3)c2N)cc1
InChIInChI=1S/C18H18N4O2/c1-12-4-3-5-13(10-12)22-17-16(19)18(21-11-20-17)24-15-8-6-14(23-2)7-9-15/h3-11H,19H2,1-2H3,(H,20,21,22)
InChIKeyWUXDWRZWZJEPIG-UHFFFAOYSA-N
XLogP3.91
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540817
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19146563
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144708
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (CID 19148333) is 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is COc1ccc(Oc2ncnc(Nc3cccc(C)c3)c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is WUXDWRZWZJEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-4-3-5-13(10-12)22-17-16(19)18(21-11-20-17)24-15-8-6-14(23-2)7-9-15/h3-11H,19H2,1-2H3,(H,20,21,22).
What are the key properties of 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19148333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).