6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine

C22H18N4O2 — CID 19152592

IUPAC6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Oc3ccccc3)cc2)ncnc1Oc1ccccc1
InChIInChI=1S/C22H18N4O2/c23-20-21(24-15-25-22(20)28-18-9-5-2-6-10-18)26-16-11-13-19(14-12-16)27-17-7-3-1-4-8-17/h1-15H,23H2,(H,24,25,26)
InChIKeyFUFUCPUZGXYDLH-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.39
Rot. Bonds6

About 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine

6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19152592) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19152592
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Oc3ccccc3)cc2)ncnc1Oc1ccccc1
InChIInChI=1S/C22H18N4O2/c23-20-21(24-15-25-22(20)28-18-9-5-2-6-10-18)26-16-11-13-19(14-12-16)27-17-7-3-1-4-8-17/h1-15H,23H2,(H,24,25,26)
InChIKeyFUFUCPUZGXYDLH-UHFFFAOYSA-N
XLogP5.39
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
4-[(5-amino-6-phenoxypyrimidin-4-yl)amino]benzoic acid
CID 19152597
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
4-N-(3,4-dichlorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546939
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
4-N-(3,4-difluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153925
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N,4-N-diethyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19136861
4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19154145

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine (CID 19152592) is 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine is Nc1c(Nc2ccc(Oc3ccccc3)cc2)ncnc1Oc1ccccc1.
What is the InChIKey of 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is FUFUCPUZGXYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-20-21(24-15-25-22(20)28-18-9-5-2-6-10-18)26-16-11-13-19(14-12-16)27-17-7-3-1-4-8-17/h1-15H,23H2,(H,24,25,26).
What are the key properties of 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 370.41 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19152592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).