1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione

C16H17F2N3O2 — CID 4075506

IUPAC1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC2)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C16H17F2N3O2/c1-19-15(22)9-14(20-6-2-3-7-20)21(16(19)23)10-11-4-5-12(17)8-13(11)18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyXAEATPIGZFUKRV-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.47
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione

1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione (PubChem CID 4075506) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
PubChem CID4075506
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC2)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C16H17F2N3O2/c1-19-15(22)9-14(20-6-2-3-7-20)21(16(19)23)10-11-4-5-12(17)8-13(11)18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyXAEATPIGZFUKRV-UHFFFAOYSA-N
XLogP1.47
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-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-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione (CID 4075506) is 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione is Cn1c(=O)cc(N2CCCC2)n(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
The InChIKey is XAEATPIGZFUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-19-15(22)9-14(20-6-2-3-7-20)21(16(19)23)10-11-4-5-12(17)8-13(11)18/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione has a molecular weight of 321.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 4075506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).