6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

C11H10N4O3 — CID 6506581

IUPAC6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=NC=C1C=CN(Cc2cc(=O)[nH]c(=O)[nH]2)C=C1
InChIInChI=1S/C11H10N4O3/c16-10-5-9(13-11(17)14-10)7-15-3-1-8(2-4-15)6-12-18/h1-6H,7H2,(H2,13,14,16,17)
InChIKeyHGPBZVJWRFMRPK-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.56
Rot. Bonds3

About 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 6506581) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID6506581
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=NC=C1C=CN(Cc2cc(=O)[nH]c(=O)[nH]2)C=C1
InChIInChI=1S/C11H10N4O3/c16-10-5-9(13-11(17)14-10)7-15-3-1-8(2-4-15)6-12-18/h1-6H,7H2,(H2,13,14,16,17)
InChIKeyHGPBZVJWRFMRPK-UHFFFAOYSA-N
XLogP0.56
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (CID 6506581) is 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is O=NC=C1C=CN(Cc2cc(=O)[nH]c(=O)[nH]2)C=C1.
What is the InChIKey of 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HGPBZVJWRFMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-10-5-9(13-11(17)14-10)7-15-3-1-8(2-4-15)6-12-18/h1-6H,7H2,(H2,13,14,16,17).
What are the key properties of 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 246.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6506581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).