5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

C11H8F2N2O2 — CID 911504

IUPAC5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C11H8F2N2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChIKeyNRKLRLVHPYUIAT-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.86
Rot. Bonds2

About 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 911504) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID911504
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C11H8F2N2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChIKeyNRKLRLVHPYUIAT-UHFFFAOYSA-N
XLogP0.86
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mavacamten
CID 117761397
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 937941
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione
CID 273579
6-Amino-1-benzyl-5-methylaminouracil
CID 726225
6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
Aryl bispyrimidine
CID 2815029
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
1-Benzyluracil
CID 237962

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 911504) is 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(F)cc2)cc1F.
What is the InChIKey of 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is NRKLRLVHPYUIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17).
What are the key properties of 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 238.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 911504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).