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

C7H13N5O2 — CID 70633393

IUPAC2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(NCCO)c(N)c1=O
InChIInChI=1S/C7H13N5O2/c1-12-6(14)4(8)5(10-2-3-13)11-7(12)9/h10,13H,2-3,8H2,1H3,(H2,9,11)
InChIKeyVKDWDBAZPJAWCK-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.65
Rot. Bonds3

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

2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one (PubChem CID 70633393) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
PubChem CID70633393
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(NCCO)c(N)c1=O
InChIInChI=1S/C7H13N5O2/c1-12-6(14)4(8)5(10-2-3-13)11-7(12)9/h10,13H,2-3,8H2,1H3,(H2,9,11)
InChIKeyVKDWDBAZPJAWCK-UHFFFAOYSA-N
XLogP-1.65
TPSA119.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one (CID 70633393) is 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one is Cn1c(N)nc(NCCO)c(N)c1=O.
What is the InChIKey of 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The InChIKey is VKDWDBAZPJAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-12-6(14)4(8)5(10-2-3-13)11-7(12)9/h10,13H,2-3,8H2,1H3,(H2,9,11).
What are the key properties of 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one has a molecular weight of 199.21 g/mol, XLogP of -1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-6-(2-hydroxyethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 70633393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).