6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H22N6O — CID 84586066

IUPAC6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCC1CCCN1Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H22N6O/c1-17(2)12-15-10(14-11(13)16-12)7-18-6-4-5-9(18)8-19-3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOMKZBPMFDRCRNP-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.13
Rot. Bonds5

About 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 84586066) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID84586066
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCC1CCCN1Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H22N6O/c1-17(2)12-15-10(14-11(13)16-12)7-18-6-4-5-9(18)8-19-3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOMKZBPMFDRCRNP-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 84586066) is 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COCC1CCCN1Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OMKZBPMFDRCRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-17(2)12-15-10(14-11(13)16-12)7-18-6-4-5-9(18)8-19-3/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 84586066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).