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

C14H26N4 — CID 113336790

IUPAC2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1ccnc(NCC)n1
InChIInChI=1S/C14H26N4/c1-3-5-6-7-8-9-11-16-13-10-12-17-14(18-13)15-4-2/h10,12H,3-9,11H2,1-2H3,(H2,15,16,17,18)
InChIKeyAMHDVGIWBZRTMD-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.68
Rot. Bonds10

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

2-N-ethyl-4-N-octylpyrimidine-2,4-diamine (PubChem CID 113336790) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
PubChem CID113336790
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1ccnc(NCC)n1
InChIInChI=1S/C14H26N4/c1-3-5-6-7-8-9-11-16-13-10-12-17-14(18-13)15-4-2/h10,12H,3-9,11H2,1-2H3,(H2,15,16,17,18)
InChIKeyAMHDVGIWBZRTMD-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.68
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

2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900364
2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900354
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine (CID 113336790) is 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine is CCCCCCCCNc1ccnc(NCC)n1.
What is the InChIKey of 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine?
The InChIKey is AMHDVGIWBZRTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-5-6-7-8-9-11-16-13-10-12-17-14(18-13)15-4-2/h10,12H,3-9,11H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-octylpyrimidine-2,4-diamine is sourced from PubChem (CID 113336790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).