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

C13H18N6O2 — CID 110091067

IUPAC2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(c3[nH]ncc3C)C2)n1
InChIInChI=1S/C13H18N6O2/c1-8-6-14-18-10(8)9-4-5-19(7-9)11-15-12(20-2)17-13(16-11)21-3/h6,9H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyWBNFPDMLNGWKJS-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.91
Rot. Bonds4

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

2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine (PubChem CID 110091067) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
PubChem CID110091067
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(c3[nH]ncc3C)C2)n1
InChIInChI=1S/C13H18N6O2/c1-8-6-14-18-10(8)9-4-5-19(7-9)11-15-12(20-2)17-13(16-11)21-3/h6,9H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyWBNFPDMLNGWKJS-UHFFFAOYSA-N
XLogP0.91
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine (CID 110091067) is 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCC(c3[nH]ncc3C)C2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine?
The InChIKey is WBNFPDMLNGWKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-8-6-14-18-10(8)9-4-5-19(7-9)11-15-12(20-2)17-13(16-11)21-3/h6,9H,4-5,7H2,1-3H3,(H,14,18).
What are the key properties of 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine has a molecular weight of 290.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 110091067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).