2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C16H18N8O2 — CID 110091071

IUPAC2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2c2cnc(-c3ncc[nH]3)cn2)n1
InChIInChI=1S/C16H18N8O2/c1-25-15-21-14(22-16(23-15)26-2)24-7-3-4-12(24)10-8-20-11(9-19-10)13-17-5-6-18-13/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyBNDKPCKCLKZPAG-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 110091071) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID110091071
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2c2cnc(-c3ncc[nH]3)cn2)n1
InChIInChI=1S/C16H18N8O2/c1-25-15-21-14(22-16(23-15)26-2)24-7-3-4-12(24)10-8-20-11(9-19-10)13-17-5-6-18-13/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyBNDKPCKCLKZPAG-UHFFFAOYSA-N
XLogP1.41
TPSA114.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 110091071) is 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCCC2c2cnc(-c3ncc[nH]3)cn2)n1.
What is the InChIKey of 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is BNDKPCKCLKZPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c1-25-15-21-14(22-16(23-15)26-2)24-7-3-4-12(24)10-8-20-11(9-19-10)13-17-5-6-18-13/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 354.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 110091071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).