6-ethoxy-2-phenylpyrimidin-4-amine

C12H13N3O — CID 14242675

IUPAC6-ethoxy-2-phenylpyrimidin-4-amine
SMILESCCOc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-2-16-11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyUTDPBEMMXXAYHJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.12
Rot. Bonds3

About 6-ethoxy-2-phenylpyrimidin-4-amine

6-ethoxy-2-phenylpyrimidin-4-amine (PubChem CID 14242675) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-ethoxy-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-phenylpyrimidin-4-amine
PubChem CID14242675
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-ethoxy-2-phenylpyrimidin-4-amine
SMILESCCOc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-2-16-11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyUTDPBEMMXXAYHJ-UHFFFAOYSA-N
XLogP2.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-phenylpyrimidin-4-amine (CID 14242675) is 6-ethoxy-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-phenylpyrimidin-4-amine is CCOc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-ethoxy-2-phenylpyrimidin-4-amine?
The InChIKey is UTDPBEMMXXAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-16-11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of 6-ethoxy-2-phenylpyrimidin-4-amine?
6-ethoxy-2-phenylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 14242675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).