6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione

C12H10Cl2N2O2 — CID 14096466

IUPAC6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-15-10(6-11(17)16(2)12(15)18)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyOCOGKLFVDHVPTO-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.06
Rot. Bonds1

About 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione

6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 14096466) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID14096466
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-15-10(6-11(17)16(2)12(15)18)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyOCOGKLFVDHVPTO-UHFFFAOYSA-N
XLogP2.06
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione (CID 14096466) is 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(-c2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OCOGKLFVDHVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-15-10(6-11(17)16(2)12(15)18)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3.
What are the key properties of 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 285.13 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 14096466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).