6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione

C13H12ClN3O3 — CID 2373777

IUPAC6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-16-11(15)9(12(19)17(2)13(16)20)10(18)7-3-5-8(14)6-4-7/h3-6H,15H2,1-2H3
InChIKeyHMQWTCPSQIODPY-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.55
Rot. Bonds2

About 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2373777) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2373777
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-16-11(15)9(12(19)17(2)13(16)20)10(18)7-3-5-8(14)6-4-7/h3-6H,15H2,1-2H3
InChIKeyHMQWTCPSQIODPY-UHFFFAOYSA-N
XLogP0.55
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 2373777) is 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HMQWTCPSQIODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-16-11(15)9(12(19)17(2)13(16)20)10(18)7-3-5-8(14)6-4-7/h3-6H,15H2,1-2H3.
What are the key properties of 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 293.71 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-chlorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2373777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).