4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H17N7 — CID 80798127

IUPAC4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCN1c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7/c1-2-9-4-3-6-19(9)12-16-10(13)15-11(17-12)18-7-5-14-8-18/h5,7-9H,2-4,6H2,1H3,(H2,13,15,16,17)
InChIKeyNIURWVFCHZITHJ-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.02
Rot. Bonds3

About 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80798127) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80798127
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCN1c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7/c1-2-9-4-3-6-19(9)12-16-10(13)15-11(17-12)18-7-5-14-8-18/h5,7-9H,2-4,6H2,1H3,(H2,13,15,16,17)
InChIKeyNIURWVFCHZITHJ-UHFFFAOYSA-N
XLogP1.02
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
4-(2-ethylpyrrolidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80798778
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80826985
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80787157
4-imidazol-1-yl-6-[(1-methylpiperidin-2-yl)methoxy]-1,3,5-triazin-2-amine
CID 80863288
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80798127) is 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is CCC1CCCN1c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NIURWVFCHZITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-2-9-4-3-6-19(9)12-16-10(13)15-11(17-12)18-7-5-14-8-18/h5,7-9H,2-4,6H2,1H3,(H2,13,15,16,17).
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80798127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).