5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine

C12H11N3O3 — CID 163307237

IUPAC5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
SMILESCOc1cc2c(cc1-c1cnc(N)nc1)OCO2
InChIInChI=1S/C12H11N3O3/c1-16-9-3-11-10(17-6-18-11)2-8(9)7-4-14-12(13)15-5-7/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKeyGKWRMYQTIXRMGF-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.46
Rot. Bonds2

About 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine

5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine (PubChem CID 163307237) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
PubChem CID163307237
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
SMILESCOc1cc2c(cc1-c1cnc(N)nc1)OCO2
InChIInChI=1S/C12H11N3O3/c1-16-9-3-11-10(17-6-18-11)2-8(9)7-4-14-12(13)15-5-7/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKeyGKWRMYQTIXRMGF-UHFFFAOYSA-N
XLogP1.46
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
CID 162632824
5-(6-methoxy-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine
CID 163306861
3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
CID 162632386
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
CID 163311853
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide
CID 162625904
4-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylthieno[3,2-d]pyrimidine
CID 157016098
2-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine
CID 157013233
6-fluoro-3-(6-methoxy-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine
CID 157017620
N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
CID 162633091

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine (CID 163307237) is 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine is COc1cc2c(cc1-c1cnc(N)nc1)OCO2.
What is the InChIKey of 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine?
The InChIKey is GKWRMYQTIXRMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-16-9-3-11-10(17-6-18-11)2-8(9)7-4-14-12(13)15-5-7/h2-5H,6H2,1H3,(H2,13,14,15).
What are the key properties of 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine?
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine has a molecular weight of 245.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 163307237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).