1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione

C8H11N3O3 — CID 91571964

IUPAC1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione
SMILESCc1c(CN=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H11N3O3/c1-5-6(4-9-14)7(12)11(3)8(13)10(5)2/h4H2,1-3H3
InChIKeyGKSHCPVZJSQSMI-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds2

About 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione

1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione (PubChem CID 91571964) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione
PubChem CID91571964
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione
SMILESCc1c(CN=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H11N3O3/c1-5-6(4-9-14)7(12)11(3)8(13)10(5)2/h4H2,1-3H3
InChIKeyGKSHCPVZJSQSMI-UHFFFAOYSA-N
XLogP-0.34
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 4153777
1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione
CID 123498369
1,3-dimethyl-5-(nitrosomethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 123549149
N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide
CID 135160119
1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium
CID 102482142
1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one
CID 159572703
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464
6-amino-5-(2-aminopropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 170890934
1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one
CID 155185320
5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46965878
potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
CID 68874576
1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione
CID 7475179

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione (CID 91571964) is 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione is Cc1c(CN=O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione?
The InChIKey is GKSHCPVZJSQSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-6(4-9-14)7(12)11(3)8(13)10(5)2/h4H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91571964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).