6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine

C16H22N4O — CID 80867343

IUPAC6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2ccc(C(C)(C)C)cc2)nc(N)n1
InChIInChI=1S/C16H22N4O/c1-5-18-13-10-14(20-15(17)19-13)21-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyZYQTWJTUWFLFHV-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.58
Rot. Bonds4

About 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine

6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80867343) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80867343
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2ccc(C(C)(C)C)cc2)nc(N)n1
InChIInChI=1S/C16H22N4O/c1-5-18-13-10-14(20-15(17)19-13)21-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyZYQTWJTUWFLFHV-UHFFFAOYSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 115493746
4-N-ethyl-6-(4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80870871
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
CID 80881143
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine (CID 80867343) is 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(Oc2ccc(C(C)(C)C)cc2)nc(N)n1.
What is the InChIKey of 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is ZYQTWJTUWFLFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-18-13-10-14(20-15(17)19-13)21-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80867343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).