6-ethoxy-4-N-ethylpyrimidine-2,4-diamine

C8H14N4O — CID 80858129

IUPAC6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(OCC)nc(N)n1
InChIInChI=1S/C8H14N4O/c1-3-10-6-5-7(13-4-2)12-8(9)11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyWQYGENNGSNDGJL-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.89
Rot. Bonds4

About 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine

6-ethoxy-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80858129) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80858129
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(OCC)nc(N)n1
InChIInChI=1S/C8H14N4O/c1-3-10-6-5-7(13-4-2)12-8(9)11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyWQYGENNGSNDGJL-UHFFFAOYSA-N
XLogP0.89
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
4-N-ethyl-6-(furan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80858205
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
CID 102723665
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine (CID 80858129) is 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(OCC)nc(N)n1.
What is the InChIKey of 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is WQYGENNGSNDGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-10-6-5-7(13-4-2)12-8(9)11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine?
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 182.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80858129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).