6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine

C8H15N5O — CID 56629352

IUPAC6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N5O/c1-2-4-14-5-3-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyODANSDVVRAMNRC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.01
Rot. Bonds5

About 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine

6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56629352) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID56629352
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N5O/c1-2-4-14-5-3-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyODANSDVVRAMNRC-UHFFFAOYSA-N
XLogP0.01
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-Ethyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 199901
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
4-Ethoxy-6-ethyl-N-methyl-1,3,5-triazin-2-amine
CID 201842
1,3,5-Triazin-2-amine, 4-methoxy-N-methyl-6-propyl-
CID 199909
1,3,5-Triazin-2-acetonitrile, 4-amino-6-methoxy-
CID 199944
1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-
CID 199945
4-Tert-butyl-6-methoxy-1,3,5-triazin-2-amine
CID 698866
2-(4,6-Diamino-1,3,5-triazin-2-yl)ethanol
CID 4390640

Frequently Asked Questions

What is the IUPAC name of 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine (CID 56629352) is 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine is CCCOCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ODANSDVVRAMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-4-14-5-3-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine?
6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 197.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56629352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).