6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one

C6H6ClN3O2 — CID 177234106

IUPAC6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one
SMILESCc1nc(Cl)c(N=O)c(=O)n1C
InChIInChI=1S/C6H6ClN3O2/c1-3-8-5(7)4(9-12)6(11)10(3)2/h1-2H3
InChIKeyZCFQRRVCOWUXJU-UHFFFAOYSA-N
MW187.59 g/mol
LogP1.14
Rot. Bonds1

About 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one

6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one (PubChem CID 177234106) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one
PubChem CID177234106
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one
SMILESCc1nc(Cl)c(N=O)c(=O)n1C
InChIInChI=1S/C6H6ClN3O2/c1-3-8-5(7)4(9-12)6(11)10(3)2/h1-2H3
InChIKeyZCFQRRVCOWUXJU-UHFFFAOYSA-N
XLogP1.14
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1,5,6-trimethylpyrazin-2-one
CID 146565343
5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
CID 143386784
5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
CID 83820734
1-methylaziridine-2,3-dione;hydrochloride
CID 172854973
1,2,8-trimethyl-7H-purin-6-one
CID 20676688
2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
CID 59961681
5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride
CID 22594875
5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride
CID 91534940
1,2,9-trimethylpurin-6-one
CID 59886903
1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one
CID 159572703
2,3-dimethylthieno[3,4-d]pyrimidin-4-one
CID 59961683
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one?
The IUPAC name of 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one (CID 177234106) is 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one.
What is the SMILES notation for 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one?
The canonical SMILES for 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one is Cc1nc(Cl)c(N=O)c(=O)n1C.
What is the InChIKey of 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one?
The InChIKey is ZCFQRRVCOWUXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-3-8-5(7)4(9-12)6(11)10(3)2/h1-2H3.
What are the key properties of 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one?
6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one has a molecular weight of 187.59 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one is sourced from PubChem (CID 177234106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).