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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Related Compounds

6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 67620047
6-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride
CID 67619675
N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine;hydrochloride
CID 22402342
2-(1,3-benzodioxol-5-yl)-4-imidazol-1-ylpyrimidine
CID 3234102
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-imidazol-1-yl-N-methylpyrimidin-4-amine
CID 54283001
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 22402328
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
N-(2-methyl-5-pyridin-3-ylthiophen-3-yl)-1,3-benzodioxol-5-amine
CID 174395896
2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane
CID 157257379
1-[5-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 118884558

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).