2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C6H9N3O2 — CID 3613556

IUPAC2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-2-3-4(10)8-6(7)9-5(3)11/h2H2,1H3,(H4,7,8,9,10,11)
InChIKeyGJIYTJHETGATKF-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.38
Rot. Bonds1

About 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 3613556) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID3613556
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-2-3-4(10)8-6(7)9-5(3)11/h2H2,1H3,(H4,7,8,9,10,11)
InChIKeyGJIYTJHETGATKF-UHFFFAOYSA-N
XLogP-0.38
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 3613556) is 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GJIYTJHETGATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-3-4(10)8-6(7)9-5(3)11/h2H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 3613556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).