2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine

C14H28N6O — CID 80787377

IUPAC2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)N(CCOC)c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C14H28N6O/c1-6-11(4)20(9-10-21-5)14-17-12(15)16-13(18-14)19(7-2)8-3/h11H,6-10H2,1-5H3,(H2,15,16,17,18)
InChIKeyPPSXVHAAXISBPL-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.55
Rot. Bonds9

About 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine

2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80787377) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80787377
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)N(CCOC)c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C14H28N6O/c1-6-11(4)20(9-10-21-5)14-17-12(15)16-13(18-14)19(7-2)8-3/h11H,6-10H2,1-5H3,(H2,15,16,17,18)
InChIKeyPPSXVHAAXISBPL-UHFFFAOYSA-N
XLogP1.55
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82943478
2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80820612
2-N-ethyl-2-N-(2-methoxyethyl)-6-propyl-1,3,5-triazine-2,4-diamine
CID 112746069
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
2-N,2-N-bis(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80795772
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 80787377) is 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is CCC(C)N(CCOC)c1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PPSXVHAAXISBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-6-11(4)20(9-10-21-5)14-17-12(15)16-13(18-14)19(7-2)8-3/h11H,6-10H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.42 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80787377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).