[3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine

C13H13Cl2N3O3 — CID 175701593

IUPAC[3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCOc1cc(OC)nc(Oc2c(CN)ccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3O3/c1-19-9-5-10(20-2)18-13(17-9)21-12-7(6-16)3-4-8(14)11(12)15/h3-5H,6,16H2,1-2H3
InChIKeyJHYCAXXYWUATHI-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.05
Rot. Bonds5

About [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine

[3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine (PubChem CID 175701593) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine
PubChem CID175701593
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name[3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCOc1cc(OC)nc(Oc2c(CN)ccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3O3/c1-19-9-5-10(20-2)18-13(17-9)21-12-7(6-16)3-4-8(14)11(12)15/h3-5H,6,16H2,1-2H3
InChIKeyJHYCAXXYWUATHI-UHFFFAOYSA-N
XLogP3.05
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine?
The IUPAC name of [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine (CID 175701593) is [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine?
The canonical SMILES for [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine is COc1cc(OC)nc(Oc2c(CN)ccc(Cl)c2Cl)n1.
What is the InChIKey of [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine?
The InChIKey is JHYCAXXYWUATHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c1-19-9-5-10(20-2)18-13(17-9)21-12-7(6-16)3-4-8(14)11(12)15/h3-5H,6,16H2,1-2H3.
What are the key properties of [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine?
[3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine has a molecular weight of 330.17 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dichloro-2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 175701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).