2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H25N5O — CID 80766247

IUPAC2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCCCC2)nc(OCC)n1
InChIInChI=1S/C14H25N5O/c1-3-10-15-12-17-13(19-14(18-12)20-4-2)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyNFEUMJJUUKVGOD-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.84
Rot. Bonds7

About 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80766247) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80766247
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCCCC2)nc(OCC)n1
InChIInChI=1S/C14H25N5O/c1-3-10-15-12-17-13(19-14(18-12)20-4-2)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyNFEUMJJUUKVGOD-UHFFFAOYSA-N
XLogP2.84
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80797059
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823322

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80766247) is 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC2CCCCC2)nc(OCC)n1.
What is the InChIKey of 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NFEUMJJUUKVGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-10-15-12-17-13(19-14(18-12)20-4-2)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80766247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).