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

C14H21N7 — CID 80801599

IUPAC2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(-n2ccnc2)n1)C1CCCCC1
InChIInChI=1S/C14H21N7/c1-10(11-5-3-2-4-6-11)17-13-18-12(15)19-14(20-13)21-8-7-16-9-21/h7-11H,2-6H2,1H3,(H3,15,17,18,19,20)
InChIKeyAUORQUSTWGKBJX-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.02
Rot. Bonds4

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

2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80801599) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80801599
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(-n2ccnc2)n1)C1CCCCC1
InChIInChI=1S/C14H21N7/c1-10(11-5-3-2-4-6-11)17-13-18-12(15)19-14(20-13)21-8-7-16-9-21/h7-11H,2-6H2,1H3,(H3,15,17,18,19,20)
InChIKeyAUORQUSTWGKBJX-UHFFFAOYSA-N
XLogP2.02
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80840055
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 80818046
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
CID 129364008
6-imidazol-1-yl-2-N-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
2-N-(1-cyclopentylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835106
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80801599) is 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(-n2ccnc2)n1)C1CCCCC1.
What is the InChIKey of 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AUORQUSTWGKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-10(11-5-3-2-4-6-11)17-13-18-12(15)19-14(20-13)21-8-7-16-9-21/h7-11H,2-6H2,1H3,(H3,15,17,18,19,20).
What are the key properties of 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80801599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).