1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione

C30H30F2N4O2 — CID 11352834

IUPAC1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
SMILESC=Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1
InChIInChI=1S/C30H30F2N4O2/c1-4-22-11-13-23(14-12-22)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-24-8-5-6-16-33-24/h4-14,16H,1,15,17-20H2,2-3H3
InChIKeyUGLFKYQXIPZTIE-UHFFFAOYSA-N
MW516.59 g/mol
LogP4.52
Rot. Bonds10

About 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione

1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione (PubChem CID 11352834) has the molecular formula C30H30F2N4O2 and a molecular weight of 516.59 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
PubChem CID11352834
Molecular FormulaC30H30F2N4O2
Molecular Weight516.59 g/mol
Exact Mass516.23
IUPAC Name1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
SMILESC=Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1
InChIInChI=1S/C30H30F2N4O2/c1-4-22-11-13-23(14-12-22)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-24-8-5-6-16-33-24/h4-14,16H,1,15,17-20H2,2-3H3
InChIKeyUGLFKYQXIPZTIE-UHFFFAOYSA-N
XLogP4.52
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione (CID 11352834) is 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione is C=Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
The InChIKey is UGLFKYQXIPZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N4O2/c1-4-22-11-13-23(14-12-22)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-24-8-5-6-16-33-24/h4-14,16H,1,15,17-20H2,2-3H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione has a molecular weight of 516.59 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-5-(4-ethenylphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11352834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).