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

C16H22N4O — CID 115493746

IUPAC6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCCCc1ccc(Oc2cc(NCC)nc(N)n2)cc1
InChIInChI=1S/C16H22N4O/c1-3-5-6-12-7-9-13(10-8-12)21-15-11-14(18-4-2)19-16(17)20-15/h7-11H,3-6H2,1-2H3,(H3,17,18,19,20)
InChIKeyPKQMITOSCMJBCU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds7

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

6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 115493746) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID115493746
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCCCc1ccc(Oc2cc(NCC)nc(N)n2)cc1
InChIInChI=1S/C16H22N4O/c1-3-5-6-12-7-9-13(10-8-12)21-15-11-14(18-4-2)19-16(17)20-15/h7-11H,3-6H2,1-2H3,(H3,17,18,19,20)
InChIKeyPKQMITOSCMJBCU-UHFFFAOYSA-N
XLogP3.63
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
4-N-ethyl-6-(4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80870871
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
CID 107745130
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine (CID 115493746) is 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine is CCCCc1ccc(Oc2cc(NCC)nc(N)n2)cc1.
What is the InChIKey of 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is PKQMITOSCMJBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-5-6-12-7-9-13(10-8-12)21-15-11-14(18-4-2)19-16(17)20-15/h7-11H,3-6H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine?
6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 115493746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).