6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine

C20H16N6O2 — CID 57121492

IUPAC6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1nc(-n2ccnc2)nc(-c2ccc3c(c2)OCO3)c1-c1cccnc1
InChIInChI=1S/C20H16N6O2/c1-21-19-17(14-3-2-6-22-10-14)18(24-20(25-19)26-8-7-23-11-26)13-4-5-15-16(9-13)28-12-27-15/h2-11H,12H2,1H3,(H,21,24,25)
InChIKeyUKNRRUGIGXYFKT-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.16
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine

6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine (PubChem CID 57121492) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
PubChem CID57121492
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1nc(-n2ccnc2)nc(-c2ccc3c(c2)OCO3)c1-c1cccnc1
InChIInChI=1S/C20H16N6O2/c1-21-19-17(14-3-2-6-22-10-14)18(24-20(25-19)26-8-7-23-11-26)13-4-5-15-16(9-13)28-12-27-15/h2-11H,12H2,1H3,(H,21,24,25)
InChIKeyUKNRRUGIGXYFKT-UHFFFAOYSA-N
XLogP3.16
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine (CID 57121492) is 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine is CNc1nc(-n2ccnc2)nc(-c2ccc3c(c2)OCO3)c1-c1cccnc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is UKNRRUGIGXYFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-21-19-17(14-3-2-6-22-10-14)18(24-20(25-19)26-8-7-23-11-26)13-4-5-15-16(9-13)28-12-27-15/h2-11H,12H2,1H3,(H,21,24,25).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine?
6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 372.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 57121492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).