6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

C16H17N5O2 — CID 22540621

IUPAC6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(Nc3cc(C)on3)c2N)cc1
InChIInChI=1S/C16H17N5O2/c1-3-11-4-6-12(7-5-11)22-16-14(17)15(18-9-19-16)20-13-8-10(2)23-21-13/h4-9H,3,17H2,1-2H3,(H,18,19,20,21)
InChIKeyXUQYTNIGPFHUMC-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.45
Rot. Bonds5

About 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (PubChem CID 22540621) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
PubChem CID22540621
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(Nc3cc(C)on3)c2N)cc1
InChIInChI=1S/C16H17N5O2/c1-3-11-4-6-12(7-5-11)22-16-14(17)15(18-9-19-16)20-13-8-10(2)23-21-13/h4-9H,3,17H2,1-2H3,(H,18,19,20,21)
InChIKeyXUQYTNIGPFHUMC-UHFFFAOYSA-N
XLogP3.45
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540628
6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541998
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
4-N-(2-chloro-3-pyridinyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine
CID 19154276
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
5-methyl-N-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
CID 23479036
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (CID 22540621) is 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is CCc1ccc(Oc2ncnc(Nc3cc(C)on3)c2N)cc1.
What is the InChIKey of 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The InChIKey is XUQYTNIGPFHUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-11-4-6-12(7-5-11)22-16-14(17)15(18-9-19-16)20-13-8-10(2)23-21-13/h4-9H,3,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine has a molecular weight of 311.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22540621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).