4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine

C14H26N4O — CID 80862136

IUPAC4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
SMILESCCCCCCC(C)Oc1cc(NCC)nc(N)n1
InChIInChI=1S/C14H26N4O/c1-4-6-7-8-9-11(3)19-13-10-12(16-5-2)17-14(15)18-13/h10-11H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyFMZWBDAATDRXLS-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.23
Rot. Bonds9

About 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine

4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine (PubChem CID 80862136) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
PubChem CID80862136
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
SMILESCCCCCCC(C)Oc1cc(NCC)nc(N)n1
InChIInChI=1S/C14H26N4O/c1-4-6-7-8-9-11(3)19-13-10-12(16-5-2)17-14(15)18-13/h10-11H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyFMZWBDAATDRXLS-UHFFFAOYSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
N-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950
6-octan-2-yloxy-2-propylpyrimidin-4-amine
CID 80949905
4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
CID 102723665
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-pentan-2-yloxypyrimidine-2,4-diamine
CID 102989471
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine (CID 80862136) is 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine is CCCCCCC(C)Oc1cc(NCC)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is FMZWBDAATDRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-7-8-9-11(3)19-13-10-12(16-5-2)17-14(15)18-13/h10-11H,4-9H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine?
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 80862136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).