4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid

C5H10N4O5S — CID 135431277

IUPAC4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid
SMILESCc1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C5H8N4O.H2O4S/c1-2-8-4(7)3(6)5(10)9-2;1-5(2,3)4/h6H2,1H3,(H3,7,8,9,10);(H2,1,2,3,4)
InChIKeyONZJBHODRGXKBN-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.41
Rot. Bonds

About 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid

4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid (PubChem CID 135431277) has the molecular formula C5H10N4O5S and a molecular weight of 238.22 g/mol. Its IUPAC name is 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid.

Molecular Properties

Compound Name4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid
PubChem CID135431277
Molecular FormulaC5H10N4O5S
Molecular Weight238.22 g/mol
Exact Mass238.04
IUPAC Name4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid
SMILESCc1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C5H8N4O.H2O4S/c1-2-8-4(7)3(6)5(10)9-2;1-5(2,3)4/h6H2,1H3,(H3,7,8,9,10);(H2,1,2,3,4)
InChIKeyONZJBHODRGXKBN-UHFFFAOYSA-N
XLogP-1.41
TPSA172.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid?
The IUPAC name of 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid (CID 135431277) is 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid.
What is the SMILES notation for 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid?
The canonical SMILES for 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid is Cc1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O.
What is the InChIKey of 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid?
The InChIKey is ONZJBHODRGXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.H2O4S/c1-2-8-4(7)3(6)5(10)9-2;1-5(2,3)4/h6H2,1H3,(H3,7,8,9,10);(H2,1,2,3,4).
What are the key properties of 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid?
4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid has a molecular weight of 238.22 g/mol, XLogP of -1.41, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-methyl-1H-pyrimidin-6-one;sulfuric acid is sourced from PubChem (CID 135431277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).