6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione

C11H10ClN3O2 — CID 777252

IUPAC6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Nc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C11H10ClN3O2/c1-15-10(16)6-9(14-11(15)17)13-8-4-2-7(12)3-5-8/h2-6,13H,1H3,(H,14,17)
InChIKeyDHJODGLSYSYFJH-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.47
Rot. Bonds2

About 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione

6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 777252) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID777252
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Nc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C11H10ClN3O2/c1-15-10(16)6-9(14-11(15)17)13-8-4-2-7(12)3-5-8/h2-6,13H,1H3,(H,14,17)
InChIKeyDHJODGLSYSYFJH-UHFFFAOYSA-N
XLogP1.47
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione (CID 777252) is 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(Nc2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is DHJODGLSYSYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-15-10(16)6-9(14-11(15)17)13-8-4-2-7(12)3-5-8/h2-6,13H,1H3,(H,14,17).
What are the key properties of 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione?
6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 251.67 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 777252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).