4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 102989484

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)Oc1nc(NCC)nc(N(C)C)n1
InChIInChI=1S/C12H23N5O/c1-6-8-9(3)18-12-15-10(13-7-2)14-11(16-12)17(4)5/h9H,6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyDOZDBIXHKQMSKL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.94
Rot. Bonds7

About 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 102989484) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID102989484
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)Oc1nc(NCC)nc(N(C)C)n1
InChIInChI=1S/C12H23N5O/c1-6-8-9(3)18-12-15-10(13-7-2)14-11(16-12)17(4)5/h9H,6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyDOZDBIXHKQMSKL-UHFFFAOYSA-N
XLogP1.94
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N,N-dimethyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989750
6-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80808890
N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
CID 80861953
N-ethyl-4-morpholin-4-yl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989518
2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815170
6-N-ethyl-2-N,4-N,4-N-trimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80792076
6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 106795461
2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80772422
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776462
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 102989484) is 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine is CCCC(C)Oc1nc(NCC)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DOZDBIXHKQMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-8-9(3)18-12-15-10(13-7-2)14-11(16-12)17(4)5/h9H,6-8H2,1-5H3,(H,13,14,15,16).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 102989484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).