4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80790722

IUPAC4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCCCOC)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-3-15-12-17-13(16-8-4-7-11-21-2)19-14(18-12)20-9-5-6-10-20/h3-11H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVLSMAKRJINOOFY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.74
Rot. Bonds9

About 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80790722) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80790722
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCCCOC)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-3-15-12-17-13(16-8-4-7-11-21-2)19-14(18-12)20-9-5-6-10-20/h3-11H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVLSMAKRJINOOFY-UHFFFAOYSA-N
XLogP1.74
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80802003
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80775624
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80790722) is 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCCCOC)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VLSMAKRJINOOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-3-15-12-17-13(16-8-4-7-11-21-2)19-14(18-12)20-9-5-6-10-20/h3-11H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80790722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).