2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one

C7H13N5O2 — CID 21415604

IUPAC2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCC(O)Nc1nc(N)n(C)c(=O)c1N
InChIInChI=1S/C7H13N5O2/c1-3(13)10-5-4(8)6(14)12(2)7(9)11-5/h3,10,13H,8H2,1-2H3,(H2,9,11)
InChIKeyAKGNOCYFLYTHHV-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.31
Rot. Bonds2

About 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one

2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one (PubChem CID 21415604) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
PubChem CID21415604
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCC(O)Nc1nc(N)n(C)c(=O)c1N
InChIInChI=1S/C7H13N5O2/c1-3(13)10-5-4(8)6(14)12(2)7(9)11-5/h3,10,13H,8H2,1-2H3,(H2,9,11)
InChIKeyAKGNOCYFLYTHHV-UHFFFAOYSA-N
XLogP-1.31
TPSA119.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one (CID 21415604) is 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one is CC(O)Nc1nc(N)n(C)c(=O)c1N.
What is the InChIKey of 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one?
The InChIKey is AKGNOCYFLYTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-3(13)10-5-4(8)6(14)12(2)7(9)11-5/h3,10,13H,8H2,1-2H3,(H2,9,11).
What are the key properties of 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one?
2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one has a molecular weight of 199.21 g/mol, XLogP of -1.31, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 21415604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).