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

C11H17N7O2 — CID 80813959

IUPAC6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOCCOCCNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7O2/c1-19-6-7-20-5-3-14-10-15-9(12)16-11(17-10)18-4-2-13-8-18/h2,4,8H,3,5-7H2,1H3,(H3,12,14,15,16,17)
InChIKeyWBNSHGCXAMQEGX-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.29
Rot. Bonds8

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

6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80813959) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80813959
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOCCOCCNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7O2/c1-19-6-7-20-5-3-14-10-15-9(12)16-11(17-10)18-4-2-13-8-18/h2,4,8H,3,5-7H2,1H3,(H3,12,14,15,16,17)
InChIKeyWBNSHGCXAMQEGX-UHFFFAOYSA-N
XLogP-0.29
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
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
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
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-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80813959) is 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine is COCCOCCNc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WBNSHGCXAMQEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-19-6-7-20-5-3-14-10-15-9(12)16-11(17-10)18-4-2-13-8-18/h2,4,8H,3,5-7H2,1H3,(H3,12,14,15,16,17).
What are the key properties of 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 279.30 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80813959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).