1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol

C13H19N7O — CID 115967439

IUPAC1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1nc(N2CCC(C(C)O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-9(21)10-3-5-19(7-10)12-16-11(14-2)17-13(18-12)20-6-4-15-8-20/h4,6,8-10,21H,3,5,7H2,1-2H3,(H,14,16,17,18)
InChIKeyZILSUDWCXOWVOG-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.31
Rot. Bonds4

About 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol

1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol (PubChem CID 115967439) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
PubChem CID115967439
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1nc(N2CCC(C(C)O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-9(21)10-3-5-19(7-10)12-16-11(14-2)17-13(18-12)20-6-4-15-8-20/h4,6,8-10,21H,3,5,7H2,1-2H3,(H,14,16,17,18)
InChIKeyZILSUDWCXOWVOG-UHFFFAOYSA-N
XLogP0.31
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496
4-imidazol-1-yl-N-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80831744
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol (CID 115967439) is 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol is CNc1nc(N2CCC(C(C)O)C2)nc(-n2ccnc2)n1.
What is the InChIKey of 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZILSUDWCXOWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9(21)10-3-5-19(7-10)12-16-11(14-2)17-13(18-12)20-6-4-15-8-20/h4,6,8-10,21H,3,5,7H2,1-2H3,(H,14,16,17,18).
What are the key properties of 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 289.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).