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

C14H21N7 — CID 80826910

IUPAC2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC1CCCC(Nc2nc(N)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C14H21N7/c1-2-10-4-3-5-11(8-10)17-13-18-12(15)19-14(20-13)21-7-6-16-9-21/h6-7,9-11H,2-5,8H2,1H3,(H3,15,17,18,19,20)
InChIKeyCOLJQPKGKDJONO-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.02
Rot. Bonds4

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

2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80826910) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80826910
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC1CCCC(Nc2nc(N)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C14H21N7/c1-2-10-4-3-5-11(8-10)17-13-18-12(15)19-14(20-13)21-7-6-16-9-21/h6-7,9-11H,2-5,8H2,1H3,(H3,15,17,18,19,20)
InChIKeyCOLJQPKGKDJONO-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

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Related Compounds

N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293
6-imidazol-1-yl-2-N-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80840055
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80801599
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 80818046
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
4-hydrazinyl-6-imidazol-1-yl-N-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80826910) is 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CCC1CCCC(Nc2nc(N)nc(-n3ccnc3)n2)C1.
What is the InChIKey of 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is COLJQPKGKDJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-2-10-4-3-5-11(8-10)17-13-18-12(15)19-14(20-13)21-7-6-16-9-21/h6-7,9-11H,2-5,8H2,1H3,(H3,15,17,18,19,20).
What are the key properties of 2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-ethylcyclohexyl)-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-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80826910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).