[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine

C12H12ClN3O2 — CID 103568226

IUPAC[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncc(Cl)cn2)c1
InChIInChI=1S/C12H12ClN3O2/c1-17-10-2-8(5-14)3-11(4-10)18-12-15-6-9(13)7-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyHJINBNPQOBMESH-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.39
Rot. Bonds4

About [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine

[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine (PubChem CID 103568226) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
PubChem CID103568226
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncc(Cl)cn2)c1
InChIInChI=1S/C12H12ClN3O2/c1-17-10-2-8(5-14)3-11(4-10)18-12-15-6-9(13)7-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyHJINBNPQOBMESH-UHFFFAOYSA-N
XLogP2.39
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
The IUPAC name of [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine (CID 103568226) is [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Oc2ncc(Cl)cn2)c1.
What is the InChIKey of [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
The InChIKey is HJINBNPQOBMESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-10-2-8(5-14)3-11(4-10)18-12-15-6-9(13)7-16-12/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine has a molecular weight of 265.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine is sourced from PubChem (CID 103568226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).