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

C13H22N8 — CID 80795295

IUPAC2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CC(C)Nc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C13H22N8/c1-4-20(5-2)8-10(3)16-12-17-11(14)18-13(19-12)21-7-6-15-9-21/h6-7,9-10H,4-5,8H2,1-3H3,(H3,14,16,17,18,19)
InChIKeyZQYSCNXKIINZJI-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.78
Rot. Bonds7

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

2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80795295) has the molecular formula C13H22N8 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80795295
Molecular FormulaC13H22N8
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CC(C)Nc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C13H22N8/c1-4-20(5-2)8-10(3)16-12-17-11(14)18-13(19-12)21-7-6-15-9-21/h6-7,9-10H,4-5,8H2,1-3H3,(H3,14,16,17,18,19)
InChIKeyZQYSCNXKIINZJI-UHFFFAOYSA-N
XLogP0.78
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80840055
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80801599
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80795295) is 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CCN(CC)CC(C)Nc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQYSCNXKIINZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-4-20(5-2)8-10(3)16-12-17-11(14)18-13(19-12)21-7-6-15-9-21/h6-7,9-10H,4-5,8H2,1-3H3,(H3,14,16,17,18,19).
What are the key properties of 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80795295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).