4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 80814989

IUPAC4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2nccn2C)nc(OC(C)C)n1
InChIInChI=1S/C13H21N7O/c1-5-14-11-17-12(19-13(18-11)21-9(2)3)16-8-10-15-6-7-20(10)4/h6-7,9H,5,8H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyTWIXYTFGGPIRPS-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.44
Rot. Bonds7

About 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80814989) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80814989
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2nccn2C)nc(OC(C)C)n1
InChIInChI=1S/C13H21N7O/c1-5-14-11-17-12(19-13(18-11)21-9(2)3)16-8-10-15-6-7-20(10)4/h6-7,9H,5,8H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyTWIXYTFGGPIRPS-UHFFFAOYSA-N
XLogP1.44
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637652
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
N-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 79738564
4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80778958
2-N-[(1-methylimidazol-2-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80830560
2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80814989) is 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NCc2nccn2C)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is TWIXYTFGGPIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-5-14-11-17-12(19-13(18-11)21-9(2)3)16-8-10-15-6-7-20(10)4/h6-7,9H,5,8H2,1-4H3,(H2,14,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80814989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).