2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C10H16N8 — CID 80770284

IUPAC2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C10H16N8/c1-17(2)5-4-13-9-14-8(11)15-10(16-9)18-6-3-12-7-18/h3,6-7H,4-5H2,1-2H3,(H3,11,13,14,15,16)
InChIKeyLKAFHQZVRCJDKS-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.39
Rot. Bonds5

About 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80770284) has the molecular formula C10H16N8 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80770284
Molecular FormulaC10H16N8
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C10H16N8/c1-17(2)5-4-13-9-14-8(11)15-10(16-9)18-6-3-12-7-18/h3,6-7H,4-5H2,1-2H3,(H3,11,13,14,15,16)
InChIKeyLKAFHQZVRCJDKS-UHFFFAOYSA-N
XLogP-0.39
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80770284) is 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CN(C)CCNc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LKAFHQZVRCJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8/c1-17(2)5-4-13-9-14-8(11)15-10(16-9)18-6-3-12-7-18/h3,6-7H,4-5H2,1-2H3,(H3,11,13,14,15,16).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80770284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).