2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C13H19N7O — CID 80818639

IUPAC2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCOC2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c14-11-17-12(16-6-8-21-10-3-1-2-4-10)19-13(18-11)20-7-5-15-9-20/h5,7,9-10H,1-4,6,8H2,(H3,14,16,17,18,19)
InChIKeyHDGBGUDNEOYAGR-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.01
Rot. Bonds6

About 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80818639) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80818639
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCOC2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c14-11-17-12(16-6-8-21-10-3-1-2-4-10)19-13(18-11)20-7-5-15-9-20/h5,7,9-10H,1-4,6,8H2,(H3,14,16,17,18,19)
InChIKeyHDGBGUDNEOYAGR-UHFFFAOYSA-N
XLogP1.01
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
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-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80801599
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80818639) is 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCCOC2CCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HDGBGUDNEOYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c14-11-17-12(16-6-8-21-10-3-1-2-4-10)19-13(18-11)20-7-5-15-9-20/h5,7,9-10H,1-4,6,8H2,(H3,14,16,17,18,19).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).