2-N-butoxy-1,3,5-triazine-2,4,6-triamine

C7H14N6O — CID 19364611

IUPAC2-N-butoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCONc1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O/c1-2-3-4-14-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H5,8,9,10,11,12,13)
InChIKeySLLUHROOFRDQLU-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.18
Rot. Bonds5

About 2-N-butoxy-1,3,5-triazine-2,4,6-triamine

2-N-butoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 19364611) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-N-butoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID19364611
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-N-butoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCONc1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O/c1-2-3-4-14-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H5,8,9,10,11,12,13)
InChIKeySLLUHROOFRDQLU-UHFFFAOYSA-N
XLogP0.18
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
6-(1-Methylethoxy)-1,3,5-triazine-2,4-diamine
CID 32722
2,4-Diamino-6-butoxy-s-triazine
CID 32856
s-Triazine, 4,6-diamino-2-pentoxy-
CID 35117
s-Triazine, 4,6-diamino-2-isobutoxy-
CID 34083
s-Triazine, 2-sec-butoxy-4,6-diamino-
CID 119787
N2-Methoxy-1,3,5-triazine-2,4,6-triamine
CID 11400900
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
4,6-Diethoxy-1,3,5-triazin-2-amine
CID 35395
4-Ethoxy-6-methoxy-1,3,5-triazin-2-amine
CID 12318225
N-butoxy-1,3,5-triazin-2-amine
CID 17764876

Frequently Asked Questions

What is the IUPAC name of 2-N-butoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butoxy-1,3,5-triazine-2,4,6-triamine (CID 19364611) is 2-N-butoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butoxy-1,3,5-triazine-2,4,6-triamine is CCCCONc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-butoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SLLUHROOFRDQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-2-3-4-14-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H5,8,9,10,11,12,13).
What are the key properties of 2-N-butoxy-1,3,5-triazine-2,4,6-triamine?
2-N-butoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 198.23 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19364611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).