6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine

C12H22N6O — CID 80848516

IUPAC6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C12H22N6O/c1-4-19-12-15-10(13)14-11(16-12)18(3)8-9-6-5-7-17(9)2/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyXLPMJEJHCKVADB-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.38
Rot. Bonds5

About 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80848516) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80848516
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C12H22N6O/c1-4-19-12-15-10(13)14-11(16-12)18(3)8-9-6-5-7-17(9)2/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyXLPMJEJHCKVADB-UHFFFAOYSA-N
XLogP0.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80848516) is 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)CC2CCCN2C)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XLPMJEJHCKVADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-19-12-15-10(13)14-11(16-12)18(3)8-9-6-5-7-17(9)2/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80848516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).