2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

C14H23N5O — CID 80834687

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C14H23N5O/c1-3-20-14-17-12(15)16-13(18-14)19(2)8-11-7-9-4-5-10(11)6-9/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRTLIJPQGECKYSR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds5

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80834687) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80834687
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C14H23N5O/c1-3-20-14-17-12(15)16-13(18-14)19(2)8-11-7-9-4-5-10(11)6-9/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRTLIJPQGECKYSR-UHFFFAOYSA-N
XLogP1.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80906721
2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80851949
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63683096
6-ethoxy-2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847735
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565084
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80652293
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80815110

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80834687) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)CC2CC3CCC2C3)n1.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RTLIJPQGECKYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-20-14-17-12(15)16-13(18-14)19(2)8-11-7-9-4-5-10(11)6-9/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80834687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).