5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine

C15H18N10O3S — CID 165091537

IUPAC5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine
SMILESCc1c[nH]c(=O)[nH]c1=O.Cc1c[nH]c(=S)[nH]c1=O.Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C5H6N6.C5H6N2O2.C5H6N2OS/c6-3-2-4(9-1-8-2)11-5(7)10-3;2*1-3-2-6-5(9)7-4(3)8/h1H,(H5,6,7,8,9,10,11);2*2H,1H3,(H2,6,7,8,9)
InChIKeyWUGCDBIVHJNKNV-UHFFFAOYSA-N
MW418.44 g/mol
LogP-0.37
Rot. Bonds

About 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine

5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine (PubChem CID 165091537) has the molecular formula C15H18N10O3S and a molecular weight of 418.44 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine
PubChem CID165091537
Molecular FormulaC15H18N10O3S
Molecular Weight418.44 g/mol
Exact Mass418.13
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine
SMILESCc1c[nH]c(=O)[nH]c1=O.Cc1c[nH]c(=S)[nH]c1=O.Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C5H6N6.C5H6N2O2.C5H6N2OS/c6-3-2-4(9-1-8-2)11-5(7)10-3;2*1-3-2-6-5(9)7-4(3)8/h1H,(H5,6,7,8,9,10,11);2*2H,1H3,(H2,6,7,8,9)
InChIKeyWUGCDBIVHJNKNV-UHFFFAOYSA-N
XLogP-0.37
TPSA220.87 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1,7-dihydropurin-6-one;5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
CID 159240828
7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
CID 174663660
ethane;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 156733967
CID 172781007
CID 172781007
3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine
CID 159740059
N,N-dimethylformamide;bis(5-methyl-2-sulfanylidene-1H-pyrimidin-4-one);bis(pyrimidine-2,4-diamine)
CID 139062604
2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
CID 175436087
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752
2-methyl-1,7-dihydropurin-6-one
CID 135449674
5-methyl-1H-pyrimidine-2,4-dione;oxalic acid
CID 163712906
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine (CID 165091537) is 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine is Cc1c[nH]c(=O)[nH]c1=O.Cc1c[nH]c(=S)[nH]c1=O.Nc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine?
The InChIKey is WUGCDBIVHJNKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6.C5H6N2O2.C5H6N2OS/c6-3-2-4(9-1-8-2)11-5(7)10-3;2*1-3-2-6-5(9)7-4(3)8/h1H,(H5,6,7,8,9,10,11);2*2H,1H3,(H2,6,7,8,9).
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine?
5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine has a molecular weight of 418.44 g/mol, XLogP of -0.37, 0 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine is sourced from PubChem (CID 165091537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).