2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine

C14H17N3O2 — CID 66331868

IUPAC2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine
SMILESCOc1cc(Oc2ccc(CCN)cc2)nc(C)n1
InChIInChI=1S/C14H17N3O2/c1-10-16-13(18-2)9-14(17-10)19-12-5-3-11(4-6-12)7-8-15/h3-6,9H,7-8,15H2,1-2H3
InChIKeySPBGHSJCXFENIB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine

2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine (PubChem CID 66331868) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine
PubChem CID66331868
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine
SMILESCOc1cc(Oc2ccc(CCN)cc2)nc(C)n1
InChIInChI=1S/C14H17N3O2/c1-10-16-13(18-2)9-14(17-10)19-12-5-3-11(4-6-12)7-8-15/h3-6,9H,7-8,15H2,1-2H3
InChIKeySPBGHSJCXFENIB-UHFFFAOYSA-N
XLogP2.09
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine (CID 66331868) is 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine is COc1cc(Oc2ccc(CCN)cc2)nc(C)n1.
What is the InChIKey of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
The InChIKey is SPBGHSJCXFENIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-16-13(18-2)9-14(17-10)19-12-5-3-11(4-6-12)7-8-15/h3-6,9H,7-8,15H2,1-2H3.
What are the key properties of 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 66331868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).