2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one

C8H13N3O2 — CID 136973816

IUPAC2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-6-10-7(9-3-4-12)5-8(13)11-6/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyOYPMHOHPLIPOLL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.26
Rot. Bonds4

About 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one

2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136973816) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID136973816
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-6-10-7(9-3-4-12)5-8(13)11-6/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyOYPMHOHPLIPOLL-UHFFFAOYSA-N
XLogP-0.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 136973816) is 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is CCc1nc(NCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is OYPMHOHPLIPOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-6-10-7(9-3-4-12)5-8(13)11-6/h5,12H,2-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).