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

C10H13N7O5 — CID 160869294

IUPAC6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(N=O)c1=O.Cn1c(=O)cc(N)[nH]c1=O
InChIInChI=1S/C5H6N4O3.C5H7N3O2/c1-9-4(10)2(8-12)3(6)7-5(9)11;1-8-4(9)2-3(6)7-5(8)10/h6H2,1H3,(H,7,11);2H,6H2,1H3,(H,7,10)
InChIKeySLNVQHSTGUPUFS-UHFFFAOYSA-N
MW311.26 g/mol
LogP-2.29
Rot. Bonds1

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

6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 160869294) has the molecular formula C10H13N7O5 and a molecular weight of 311.26 g/mol. Its IUPAC name is 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID160869294
Molecular FormulaC10H13N7O5
Molecular Weight311.26 g/mol
Exact Mass311.10
IUPAC Name6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(N=O)c1=O.Cn1c(=O)cc(N)[nH]c1=O
InChIInChI=1S/C5H6N4O3.C5H7N3O2/c1-9-4(10)2(8-12)3(6)7-5(9)11;1-8-4(9)2-3(6)7-5(8)10/h6H2,1H3,(H,7,11);2H,6H2,1H3,(H,7,10)
InChIKeySLNVQHSTGUPUFS-UHFFFAOYSA-N
XLogP-2.29
TPSA191.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-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;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione (CID 160869294) is 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N)c(N=O)c1=O.Cn1c(=O)cc(N)[nH]c1=O.
What is the InChIKey of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SLNVQHSTGUPUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3.C5H7N3O2/c1-9-4(10)2(8-12)3(6)7-5(9)11;1-8-4(9)2-3(6)7-5(8)10/h6H2,1H3,(H,7,11);2H,6H2,1H3,(H,7,10).
What are the key properties of 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 311.26 g/mol, XLogP of -2.29, 1 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 160869294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).