5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one

C9H15N3O2 — CID 83880056

IUPAC5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cncc(C(O)CN)c1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)12-5-11-4-7(9(12)14)8(13)3-10/h4-6,8,13H,3,10H2,1-2H3
InChIKeyLHBRPUCMASPNHK-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.18
Rot. Bonds3

About 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one

5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one (PubChem CID 83880056) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one
PubChem CID83880056
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cncc(C(O)CN)c1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)12-5-11-4-7(9(12)14)8(13)3-10/h4-6,8,13H,3,10H2,1-2H3
InChIKeyLHBRPUCMASPNHK-UHFFFAOYSA-N
XLogP-0.18
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one (CID 83880056) is 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one is CC(C)n1cncc(C(O)CN)c1=O.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one?
The InChIKey is LHBRPUCMASPNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)12-5-11-4-7(9(12)14)8(13)3-10/h4-6,8,13H,3,10H2,1-2H3.
What are the key properties of 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one?
5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 83880056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).