6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine

C13H16N4O — CID 80864272

IUPAC6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Oc2cc(NC)nc(N)n2)cc1
InChIInChI=1S/C13H16N4O/c1-3-9-4-6-10(7-5-9)18-12-8-11(15-2)16-13(14)17-12/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyFZHPFPFRCGOJLK-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.46
Rot. Bonds4

About 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine

6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80864272) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80864272
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Oc2cc(NC)nc(N)n2)cc1
InChIInChI=1S/C13H16N4O/c1-3-9-4-6-10(7-5-9)18-12-8-11(15-2)16-13(14)17-12/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyFZHPFPFRCGOJLK-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 115493746
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
6-(4-chlorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80863637
4-N-ethyl-6-(4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80870871
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80878001
2-ethyl-N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 80942472

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine (CID 80864272) is 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine is CCc1ccc(Oc2cc(NC)nc(N)n2)cc1.
What is the InChIKey of 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is FZHPFPFRCGOJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-9-4-6-10(7-5-9)18-12-8-11(15-2)16-13(14)17-12/h4-8H,3H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80864272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).