6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine

C10H19N5O — CID 80832748

IUPAC6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC(C)CC)n1
InChIInChI=1S/C10H19N5O/c1-4-7(3)6-12-9-13-8(11)14-10(15-9)16-5-2/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyAOXNFMRQLBRUQG-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.31
Rot. Bonds6

About 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80832748) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID80832748
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC(C)CC)n1
InChIInChI=1S/C10H19N5O/c1-4-7(3)6-12-9-13-8(11)14-10(15-9)16-5-2/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyAOXNFMRQLBRUQG-UHFFFAOYSA-N
XLogP1.31
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
CID 80887131
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 80832748) is 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCC(C)CC)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AOXNFMRQLBRUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-7(3)6-12-9-13-8(11)14-10(15-9)16-5-2/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 225.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80832748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).