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

C34H30F2N4O3 — CID 11467328

IUPAC5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C34H30F2N4O3/c1-22-32(23-13-14-31-26(20-23)25-9-3-4-12-30(25)43-31)33(41)39(19-18-38(2)17-15-24-8-5-6-16-37-24)34(42)40(22)21-27-28(35)10-7-11-29(27)36/h3-14,16,20H,15,17-19,21H2,1-2H3
InChIKeyOMMOEEIMVKATBO-UHFFFAOYSA-N
MW580.64 g/mol
LogP5.78
Rot. Bonds9

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

5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione (PubChem CID 11467328) has the molecular formula C34H30F2N4O3 and a molecular weight of 580.64 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
PubChem CID11467328
Molecular FormulaC34H30F2N4O3
Molecular Weight580.64 g/mol
Exact Mass580.23
IUPAC Name5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C34H30F2N4O3/c1-22-32(23-13-14-31-26(20-23)25-9-3-4-12-30(25)43-31)33(41)39(19-18-38(2)17-15-24-8-5-6-16-37-24)34(42)40(22)21-27-28(35)10-7-11-29(27)36/h3-14,16,20H,15,17-19,21H2,1-2H3
InChIKeyOMMOEEIMVKATBO-UHFFFAOYSA-N
XLogP5.78
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.64
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione (CID 11467328) is 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione is Cc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F.
What is the InChIKey of 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
The InChIKey is OMMOEEIMVKATBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N4O3/c1-22-32(23-13-14-31-26(20-23)25-9-3-4-12-30(25)43-31)33(41)39(19-18-38(2)17-15-24-8-5-6-16-37-24)34(42)40(22)21-27-28(35)10-7-11-29(27)36/h3-14,16,20H,15,17-19,21H2,1-2H3.
What are the key properties of 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione?
5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione has a molecular weight of 580.64 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11467328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).