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

C12H17N7O2 — CID 103541933

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(N)nc(-n3ccnc3)n2)CC1OC
InChIInChI=1S/C12H17N7O2/c1-20-8-5-19(6-9(8)21-2)12-16-10(13)15-11(17-12)18-4-3-14-7-18/h3-4,7-9H,5-6H2,1-2H3,(H2,13,15,16,17)
InChIKeyHHGKLVKQZJTDCS-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.51
Rot. Bonds4

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

4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 103541933) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID103541933
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(N)nc(-n3ccnc3)n2)CC1OC
InChIInChI=1S/C12H17N7O2/c1-20-8-5-19(6-9(8)21-2)12-16-10(13)15-11(17-12)18-4-3-14-7-18/h3-4,7-9H,5-6H2,1-2H3,(H2,13,15,16,17)
InChIKeyHHGKLVKQZJTDCS-UHFFFAOYSA-N
XLogP-0.51
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 103541933) is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is COC1CN(c2nc(N)nc(-n3ccnc3)n2)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HHGKLVKQZJTDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-20-8-5-19(6-9(8)21-2)12-16-10(13)15-11(17-12)18-4-3-14-7-18/h3-4,7-9H,5-6H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 291.31 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103541933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).