6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione

C10H7ClFN3O2 — CID 516098

IUPAC6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc(F)c(Cl)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H7ClFN3O2/c11-6-3-5(1-2-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
InChIKeyQSZNJWPLWVWRMO-UHFFFAOYSA-N
MW255.64 g/mol
LogP1.60
Rot. Bonds2

About 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione

6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione (PubChem CID 516098) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione
PubChem CID516098
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc(F)c(Cl)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H7ClFN3O2/c11-6-3-5(1-2-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
InChIKeyQSZNJWPLWVWRMO-UHFFFAOYSA-N
XLogP1.60
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
1,3-Bis(3-chlorophenyl)urea
CID 139410
1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
CID 2179730
1-(3-Chlorophenyl)-3-(3-fluorophenyl)urea
CID 266468
1-(3-Chlorophenyl)-3-(4-fluorophenyl)urea
CID 266477
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
N-(4-{[N-(3-chlorophenyl)carbamoyl]amino}phenyl)acetamide
CID 736092
3-Chlorophenylurea
CID 16075
1-(4-Chlorophenyl)-3-(4-fluorophenyl)urea
CID 294989
N-(3-Chloro-4-fluorophenyl)acetamide
CID 589188
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione (CID 516098) is 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione is O=c1cc(Nc2ccc(F)c(Cl)c2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is QSZNJWPLWVWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c11-6-3-5(1-2-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione?
6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 255.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 516098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).