4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol

C16H21N3O2 — CID 135978681

IUPAC4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nc(N)cc(C(C)(C)C)n2)ccc1O
InChIInChI=1S/C16H21N3O2/c1-5-21-12-8-10(6-7-11(12)20)15-18-13(16(2,3)4)9-14(17)19-15/h6-9,20H,5H2,1-4H3,(H2,17,18,19)
InChIKeyYYCSALKCZRBGEV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol

4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol (PubChem CID 135978681) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol
PubChem CID135978681
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nc(N)cc(C(C)(C)C)n2)ccc1O
InChIInChI=1S/C16H21N3O2/c1-5-21-12-8-10(6-7-11(12)20)15-18-13(16(2,3)4)9-14(17)19-15/h6-9,20H,5H2,1-4H3,(H2,17,18,19)
InChIKeyYYCSALKCZRBGEV-UHFFFAOYSA-N
XLogP3.13
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol
CID 135978640
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 62192974
4-amino-2-ethoxyphenol
CID 12856010
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
CID 137204559
6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
CID 62201754
2,4-diamino-6-(3-ethoxy-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396033
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922
4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
CID 136927532
6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557312
4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 62203346

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol?
The IUPAC name of 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol (CID 135978681) is 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol is CCOc1cc(-c2nc(N)cc(C(C)(C)C)n2)ccc1O.
What is the InChIKey of 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol?
The InChIKey is YYCSALKCZRBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-21-12-8-10(6-7-11(12)20)15-18-13(16(2,3)4)9-14(17)19-15/h6-9,20H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol?
4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol is sourced from PubChem (CID 135978681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).