5-amino-6-chloro-2,3-dimethylpyrimidin-4-one

C6H8ClN3O — CID 83874190

IUPAC5-amino-6-chloro-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(Cl)c(N)c(=O)n1C
InChIInChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(11)10(3)2/h8H2,1-2H3
InChIKeyLAEQPSHBUGJKTK-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.32
Rot. Bonds

About 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one

5-amino-6-chloro-2,3-dimethylpyrimidin-4-one (PubChem CID 83874190) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-2,3-dimethylpyrimidin-4-one
PubChem CID83874190
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-amino-6-chloro-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(Cl)c(N)c(=O)n1C
InChIInChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(11)10(3)2/h8H2,1-2H3
InChIKeyLAEQPSHBUGJKTK-UHFFFAOYSA-N
XLogP0.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-methylpyrimidin-4(3H)-one
CID 12350064
5-Amino-3-ethyl-2,6-dimethylpyrimidin-4-one
CID 22949222
5-Amino-2,3-dimethylpyrimidin-4-one
CID 84648403
2,3-Dimethyl-5-(methyliminomethylidene)imidazol-4-one
CID 138667028
5-Amino-3-ethyl-2-methylpyrimidin-4-one
CID 142150650
6-Chloro-2,3-dimethyl-5-nitrosopyrimidin-1-ium-4-one
CID 177234105
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581763
5-Amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582542
5-Amino-3-butan-2-yl-6-chloropyrimidin-4-one
CID 114582643
5-Amino-6-chloro-3-ethylpyrimidin-4-one
CID 114582680
5-Amino-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114582683
5-Amino-3-butyl-6-chloropyrimidin-4-one
CID 114582684

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one (CID 83874190) is 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one is Cc1nc(Cl)c(N)c(=O)n1C.
What is the InChIKey of 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one?
The InChIKey is LAEQPSHBUGJKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(11)10(3)2/h8H2,1-2H3.
What are the key properties of 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one?
5-amino-6-chloro-2,3-dimethylpyrimidin-4-one has a molecular weight of 173.60 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 83874190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).