2-ethyl-4-N-octylpyrimidine-4,6-diamine

C14H26N4 — CID 113336788

IUPAC2-ethyl-4-N-octylpyrimidine-4,6-diamine
SMILESCCCCCCCCNc1cc(N)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-3-5-6-7-8-9-10-16-14-11-12(15)17-13(4-2)18-14/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyOMLDEHSUPLCZLJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds9

About 2-ethyl-4-N-octylpyrimidine-4,6-diamine

2-ethyl-4-N-octylpyrimidine-4,6-diamine (PubChem CID 113336788) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-4-N-octylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-octylpyrimidine-4,6-diamine
PubChem CID113336788
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-ethyl-4-N-octylpyrimidine-4,6-diamine
SMILESCCCCCCCCNc1cc(N)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-3-5-6-7-8-9-10-16-14-11-12(15)17-13(4-2)18-14/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyOMLDEHSUPLCZLJ-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-octylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-octylpyrimidine-4,6-diamine (CID 113336788) is 2-ethyl-4-N-octylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-octylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-octylpyrimidine-4,6-diamine is CCCCCCCCNc1cc(N)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N-octylpyrimidine-4,6-diamine?
The InChIKey is OMLDEHSUPLCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-5-6-7-8-9-10-16-14-11-12(15)17-13(4-2)18-14/h11H,3-10H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-ethyl-4-N-octylpyrimidine-4,6-diamine?
2-ethyl-4-N-octylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-octylpyrimidine-4,6-diamine is sourced from PubChem (CID 113336788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).