6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine

C13H15N3O3 — CID 82794447

IUPAC6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cccc(-c2ncnc(N)c2OC)c1OC
InChIInChI=1S/C13H15N3O3/c1-17-9-6-4-5-8(11(9)18-2)10-12(19-3)13(14)16-7-15-10/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyWTFCHXDWJCVZFW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.75
Rot. Bonds4

About 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine

6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine (PubChem CID 82794447) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
PubChem CID82794447
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cccc(-c2ncnc(N)c2OC)c1OC
InChIInChI=1S/C13H15N3O3/c1-17-9-6-4-5-8(11(9)18-2)10-12(19-3)13(14)16-7-15-10/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyWTFCHXDWJCVZFW-UHFFFAOYSA-N
XLogP1.75
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine (CID 82794447) is 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine is COc1cccc(-c2ncnc(N)c2OC)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine?
The InChIKey is WTFCHXDWJCVZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-17-9-6-4-5-8(11(9)18-2)10-12(19-3)13(14)16-7-15-10/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine?
6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 82794447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).