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

C13H24N6O — CID 83117873

IUPAC2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-4-20-12-17-10(14)16-11(18-12)15-9-13(19(2)3)7-5-6-8-13/h4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyLKSZZEAFBCAYLE-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.14
Rot. Bonds6

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

2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 83117873) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID83117873
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-4-20-12-17-10(14)16-11(18-12)15-9-13(19(2)3)7-5-6-8-13/h4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyLKSZZEAFBCAYLE-UHFFFAOYSA-N
XLogP1.14
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965
4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 83113996
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80837854
4-chloro-6-ethoxy-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazin-2-amine
CID 63830004
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80822880
5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103365012

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 83117873) is 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCC2(N(C)C)CCCC2)n1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is LKSZZEAFBCAYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-20-12-17-10(14)16-11(18-12)15-9-13(19(2)3)7-5-6-8-13/h4-9H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83117873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).