6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione

C5H6N4O3 — CID 3247720

IUPAC6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(N=O)c1=O
InChIInChI=1S/C5H6N4O3/c1-9-4(10)2(8-12)3(6)7-5(9)11/h6H2,1H3,(H,7,11)
InChIKeyGUDXLMQIDACJSU-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.95
Rot. Bonds1

About 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione

6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione (PubChem CID 3247720) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
PubChem CID3247720
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(N=O)c1=O
InChIInChI=1S/C5H6N4O3/c1-9-4(10)2(8-12)3(6)7-5(9)11/h6H2,1H3,(H,7,11)
InChIKeyGUDXLMQIDACJSU-UHFFFAOYSA-N
XLogP-0.95
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione (CID 3247720) is 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N)c(N=O)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The InChIKey is GUDXLMQIDACJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-9-4(10)2(8-12)3(6)7-5(9)11/h6H2,1H3,(H,7,11).
What are the key properties of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione has a molecular weight of 170.13 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3247720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).