1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione

C10H15N3O4 — CID 123498369

IUPAC1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione
SMILESCCCOc1c(CN=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O4/c1-4-5-17-9-7(6-11-16)8(14)12(2)10(15)13(9)3/h4-6H2,1-3H3
InChIKeyYBKJIBVLIQSHLJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.14
Rot. Bonds5

About 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione

1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione (PubChem CID 123498369) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione
PubChem CID123498369
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione
SMILESCCCOc1c(CN=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O4/c1-4-5-17-9-7(6-11-16)8(14)12(2)10(15)13(9)3/h4-6H2,1-3H3
InChIKeyYBKJIBVLIQSHLJ-UHFFFAOYSA-N
XLogP0.14
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione
CID 91571964
5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
CID 118091002
4,5-dibutoxy-1,3-dimethylimidazol-2-one
CID 150469112
1,3-dimethyl-5-(nitrosomethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 123549149
1,3-dimethyl-8-propoxy-7-propylpurine-2,6-dione
CID 664016
2,4-dimethyl-5-propoxy-1,2,4-triazol-3-one
CID 22973872
1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione
CID 17435767
1-methyl-5-propoxypyrazole-4-carboxylic acid
CID 95732883
N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide
CID 71811194
4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbaldehyde
CID 174422431
5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 4153777
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione (CID 123498369) is 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione is CCCOc1c(CN=O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione?
The InChIKey is YBKJIBVLIQSHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-5-17-9-7(6-11-16)8(14)12(2)10(15)13(9)3/h4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione?
1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(nitrosomethyl)-6-propoxypyrimidine-2,4-dione is sourced from PubChem (CID 123498369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).