2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one

C20H23N3O — CID 11638363

IUPAC2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(CCc2cccc(-c3ccccc3)c2)N=C1N
InChIInChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)
InChIKeyCWIATWAMZSVNNY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.22
Rot. Bonds4

About 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one (PubChem CID 11638363) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one
PubChem CID11638363
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(CCc2cccc(-c3ccccc3)c2)N=C1N
InChIInChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)
InChIKeyCWIATWAMZSVNNY-UHFFFAOYSA-N
XLogP3.22
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one (CID 11638363) is 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one is CN1C(=O)CC(C)(CCc2cccc(-c3ccccc3)c2)N=C1N.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one?
The InChIKey is CWIATWAMZSVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[2-(3-phenylphenyl)ethyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 11638363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).