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

C28H28F2N4O2 — CID 11027376

IUPAC1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C28H28F2N4O2/c1-20-26(21-9-4-3-5-10-21)27(35)33(18-17-32(2)16-14-22-11-6-7-15-31-22)28(36)34(20)19-23-24(29)12-8-13-25(23)30/h3-13,15H,14,16-19H2,1-2H3
InChIKeyGVKQLQJVOANAGO-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.88
Rot. Bonds9

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

1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione (PubChem CID 11027376) has the molecular formula C28H28F2N4O2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione
PubChem CID11027376
Molecular FormulaC28H28F2N4O2
Molecular Weight490.55 g/mol
Exact Mass490.22
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C28H28F2N4O2/c1-20-26(21-9-4-3-5-10-21)27(35)33(18-17-32(2)16-14-22-11-6-7-15-31-22)28(36)34(20)19-23-24(29)12-8-13-25(23)30/h3-13,15H,14,16-19H2,1-2H3
InChIKeyGVKQLQJVOANAGO-UHFFFAOYSA-N
XLogP3.88
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione (CID 11027376) is 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione is Cc1c(-c2ccccc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione?
The InChIKey is GVKQLQJVOANAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O2/c1-20-26(21-9-4-3-5-10-21)27(35)33(18-17-32(2)16-14-22-11-6-7-15-31-22)28(36)34(20)19-23-24(29)12-8-13-25(23)30/h3-13,15H,14,16-19H2,1-2H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione?
1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione has a molecular weight of 490.55 g/mol, XLogP of 3.88, 9 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]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 11027376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).