[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine

C14H17N3O2 — CID 106485586

IUPAC[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine
SMILESCCOc1ncnc(Oc2ccc(CN)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-3-18-13-10(2)14(17-9-16-13)19-12-6-4-11(8-15)5-7-12/h4-7,9H,3,8,15H2,1-2H3
InChIKeyGTKGNMFLAMFPGU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds5

About [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine

[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 106485586) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID106485586
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine
SMILESCCOc1ncnc(Oc2ccc(CN)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-3-18-13-10(2)14(17-9-16-13)19-12-6-4-11(8-15)5-7-12/h4-7,9H,3,8,15H2,1-2H3
InChIKeyGTKGNMFLAMFPGU-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine (CID 106485586) is [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine is CCOc1ncnc(Oc2ccc(CN)cc2)c1C.
What is the InChIKey of [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is GTKGNMFLAMFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-18-13-10(2)14(17-9-16-13)19-12-6-4-11(8-15)5-7-12/h4-7,9H,3,8,15H2,1-2H3.
What are the key properties of [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine?
[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106485586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).