2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one

C20H21N3O2 — CID 11652923

IUPAC2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one
SMILESCOc1cccc(-c2cccc(CCc3cc(=O)n(C)c(N)n3)c2)c1
InChIInChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22)
InChIKeyVPYGLYRRXAUOPL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.82
Rot. Bonds5

About 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one

2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one (PubChem CID 11652923) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one
PubChem CID11652923
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one
SMILESCOc1cccc(-c2cccc(CCc3cc(=O)n(C)c(N)n3)c2)c1
InChIInChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22)
InChIKeyVPYGLYRRXAUOPL-UHFFFAOYSA-N
XLogP2.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one (CID 11652923) is 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one is COc1cccc(-c2cccc(CCc3cc(=O)n(C)c(N)n3)c2)c1.
What is the InChIKey of 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one?
The InChIKey is VPYGLYRRXAUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one?
2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 11652923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).