5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one

C11H9ClFN3O — CID 136970408

IUPAC5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
SMILESCc1ccc(F)c(Nc2nc[nH]c(=O)c2Cl)c1
InChIInChI=1S/C11H9ClFN3O/c1-6-2-3-7(13)8(4-6)16-10-9(12)11(17)15-5-14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyODDWKJAQKBQEMR-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.61
Rot. Bonds2

About 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one

5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one (PubChem CID 136970408) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
PubChem CID136970408
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
SMILESCc1ccc(F)c(Nc2nc[nH]c(=O)c2Cl)c1
InChIInChI=1S/C11H9ClFN3O/c1-6-2-3-7(13)8(4-6)16-10-9(12)11(17)15-5-14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyODDWKJAQKBQEMR-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034
5-chloro-4-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971242
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one
CID 136734169
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427
4-(3-bromo-5-methylanilino)-5-chloro-1H-pyrimidin-6-one
CID 136890189
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971036
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one (CID 136970408) is 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one is Cc1ccc(F)c(Nc2nc[nH]c(=O)c2Cl)c1.
What is the InChIKey of 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is ODDWKJAQKBQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-2-3-7(13)8(4-6)16-10-9(12)11(17)15-5-14-10/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one?
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 253.66 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).