5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine

C13H15N3O — CID 12597618

IUPAC5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
SMILESCCc1c(OC)nc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-3-10-11(9-7-5-4-6-8-9)15-13(14)16-12(10)17-2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyANNRWDAIFDDUIH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds3

About 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine

5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine (PubChem CID 12597618) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
PubChem CID12597618
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
SMILESCCc1c(OC)nc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-3-10-11(9-7-5-4-6-8-9)15-13(14)16-12(10)17-2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyANNRWDAIFDDUIH-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine (CID 12597618) is 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine is CCc1c(OC)nc(N)nc1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine?
The InChIKey is ANNRWDAIFDDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-11(9-7-5-4-6-8-9)15-13(14)16-12(10)17-2/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine?
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 12597618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).