[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine

C13H15N3O — CID 115037235

IUPAC[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine
SMILESCc1ncc(Oc2ccc(CN)cc2)c(C)n1
InChIInChI=1S/C13H15N3O/c1-9-13(8-15-10(2)16-9)17-12-5-3-11(7-14)4-6-12/h3-6,8H,7,14H2,1-2H3
InChIKeyFJCCPHPEFIJJDS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.34
Rot. Bonds3

About [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine

[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine (PubChem CID 115037235) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine
PubChem CID115037235
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine
SMILESCc1ncc(Oc2ccc(CN)cc2)c(C)n1
InChIInChI=1S/C13H15N3O/c1-9-13(8-15-10(2)16-9)17-12-5-3-11(7-14)4-6-12/h3-6,8H,7,14H2,1-2H3
InChIKeyFJCCPHPEFIJJDS-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine?
The IUPAC name of [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine (CID 115037235) is [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine?
The canonical SMILES for [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine is Cc1ncc(Oc2ccc(CN)cc2)c(C)n1.
What is the InChIKey of [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine?
The InChIKey is FJCCPHPEFIJJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-13(8-15-10(2)16-9)17-12-5-3-11(7-14)4-6-12/h3-6,8H,7,14H2,1-2H3.
What are the key properties of [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine?
[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine is sourced from PubChem (CID 115037235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).