2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine

C13H26N6O — CID 80820612

IUPAC2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCC(CC)N(CCOC)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-6-10(7-2)19(8-9-20-5)13-16-11(14)15-12(17-13)18(3)4/h10H,6-9H2,1-5H3,(H2,14,15,16,17)
InChIKeyJALYIJJHLGFBEO-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.16
Rot. Bonds8

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

2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80820612) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID80820612
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCC(CC)N(CCOC)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-6-10(7-2)19(8-9-20-5)13-16-11(14)15-12(17-13)18(3)4/h10H,6-9H2,1-5H3,(H2,14,15,16,17)
InChIKeyJALYIJJHLGFBEO-UHFFFAOYSA-N
XLogP1.16
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N,2-N-bis(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80795772
2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 80787377
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
2-N-ethyl-4-N,4-N-dimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80774603
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
2-N-(1-cyclopropylethyl)-6-ethoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80820940
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55002889
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544106
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80788672

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine (CID 80820612) is 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine is CCC(CC)N(CCOC)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JALYIJJHLGFBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-6-10(7-2)19(8-9-20-5)13-16-11(14)15-12(17-13)18(3)4/h10H,6-9H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 282.39 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80820612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).