2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine

C13H15N3O — CID 82040389

IUPAC2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
SMILESCOc1ccc(C(CN)c2ncccn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-11-5-3-10(4-6-11)12(9-14)13-15-7-2-8-16-13/h2-8,12H,9,14H2,1H3
InChIKeyPDLIZJFDABNCPT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine

2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine (PubChem CID 82040389) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
PubChem CID82040389
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
SMILESCOc1ccc(C(CN)c2ncccn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-11-5-3-10(4-6-11)12(9-14)13-15-7-2-8-16-13/h2-8,12H,9,14H2,1H3
InChIKeyPDLIZJFDABNCPT-UHFFFAOYSA-N
XLogP1.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine (CID 82040389) is 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine is COc1ccc(C(CN)c2ncccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
The InChIKey is PDLIZJFDABNCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-11-5-3-10(4-6-11)12(9-14)13-15-7-2-8-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine?
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine is sourced from PubChem (CID 82040389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).