6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate

C7H13N5O3 — CID 57465367

IUPAC6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate
SMILESCN(C)c1nc(N)c(N=O)c(=O)n1C.O
InChIInChI=1S/C7H11N5O2.H2O/c1-11(2)7-9-5(8)4(10-14)6(13)12(7)3;/h8H2,1-3H3;1H2
InChIKeyXFBXUXJQOSSPLF-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.00
Rot. Bonds2

About 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate

6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate (PubChem CID 57465367) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate.

Molecular Properties

Compound Name6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate
PubChem CID57465367
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate
SMILESCN(C)c1nc(N)c(N=O)c(=O)n1C.O
InChIInChI=1S/C7H11N5O2.H2O/c1-11(2)7-9-5(8)4(10-14)6(13)12(7)3;/h8H2,1-3H3;1H2
InChIKeyXFBXUXJQOSSPLF-UHFFFAOYSA-N
XLogP-1.00
TPSA125.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate?
The IUPAC name of 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate (CID 57465367) is 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate.
What is the SMILES notation for 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate?
The canonical SMILES for 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate is CN(C)c1nc(N)c(N=O)c(=O)n1C.O.
What is the InChIKey of 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate?
The InChIKey is XFBXUXJQOSSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2.H2O/c1-11(2)7-9-5(8)4(10-14)6(13)12(7)3;/h8H2,1-3H3;1H2.
What are the key properties of 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate?
6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate has a molecular weight of 215.21 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4-one;hydrate is sourced from PubChem (CID 57465367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).