6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione

C12H12ClFN4O2 — CID 60662415

IUPAC6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(Nc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H12ClFN4O2/c1-2-18-10(15)9(11(19)17-12(18)20)16-6-3-4-8(14)7(13)5-6/h3-5,16H,2,15H2,1H3,(H,17,19,20)
InChIKeyHLZXGDOAVPGFAK-UHFFFAOYSA-N
MW298.71 g/mol
LogP1.67
Rot. Bonds3

About 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione

6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione (PubChem CID 60662415) has the molecular formula C12H12ClFN4O2 and a molecular weight of 298.71 g/mol. Its IUPAC name is 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione
PubChem CID60662415
Molecular FormulaC12H12ClFN4O2
Molecular Weight298.71 g/mol
Exact Mass298.06
IUPAC Name6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(Nc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H12ClFN4O2/c1-2-18-10(15)9(11(19)17-12(18)20)16-6-3-4-8(14)7(13)5-6/h3-5,16H,2,15H2,1H3,(H,17,19,20)
InChIKeyHLZXGDOAVPGFAK-UHFFFAOYSA-N
XLogP1.67
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210
4-amino-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357288
1-[2-amino-5-(3-chloro-4-fluoroanilino)phenyl]ethanone
CID 104612312
6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
CID 103704594
2,6-dichloro-N-(3-chloro-4-fluorophenyl)-4-nitroaniline
CID 106891417
6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione
CID 115486574
6-amino-1-ethyl-5-(hexan-3-ylamino)pyrimidine-2,4-dione
CID 55030966
6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione
CID 114383008
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
CID 7080834
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione (CID 60662415) is 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(Nc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione?
The InChIKey is HLZXGDOAVPGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O2/c1-2-18-10(15)9(11(19)17-12(18)20)16-6-3-4-8(14)7(13)5-6/h3-5,16H,2,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione?
6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione has a molecular weight of 298.71 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-chloro-4-fluoroanilino)-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 60662415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).