1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione

C6H7N3O4 — CID 135755342

IUPAC1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione
SMILESCCn1c(O)c(N=O)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-2-9-5(11)3(8-13)4(10)7-6(9)12/h11H,2H2,1H3,(H,7,10,12)
InChIKeyQORJFTVWLZSOHH-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.34
Rot. Bonds2

About 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione

1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione (PubChem CID 135755342) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione
PubChem CID135755342
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione
SMILESCCn1c(O)c(N=O)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-2-9-5(11)3(8-13)4(10)7-6(9)12/h11H,2H2,1H3,(H,7,10,12)
InChIKeyQORJFTVWLZSOHH-UHFFFAOYSA-N
XLogP-0.34
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione (CID 135755342) is 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione is CCn1c(O)c(N=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione?
The InChIKey is QORJFTVWLZSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-2-9-5(11)3(8-13)4(10)7-6(9)12/h11H,2H2,1H3,(H,7,10,12).
What are the key properties of 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione?
1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione has a molecular weight of 185.14 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 135755342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).