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

C10H13N3O2 — CID 169267146

IUPAC4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(C#CCO)c(N)nc1=O
InChIInChI=1S/C10H13N3O2/c1-7(2)13-6-8(4-3-5-14)9(11)12-10(13)15/h6-7,14H,5H2,1-2H3,(H2,11,12,15)
InChIKeyHFKHJNVOBULZNL-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.25
Rot. Bonds1

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

4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one (PubChem CID 169267146) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one
PubChem CID169267146
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(C#CCO)c(N)nc1=O
InChIInChI=1S/C10H13N3O2/c1-7(2)13-6-8(4-3-5-14)9(11)12-10(13)15/h6-7,14H,5H2,1-2H3,(H2,11,12,15)
InChIKeyHFKHJNVOBULZNL-UHFFFAOYSA-N
XLogP-0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one (CID 169267146) is 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one is CC(C)n1cc(C#CCO)c(N)nc1=O.
What is the InChIKey of 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one?
The InChIKey is HFKHJNVOBULZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(2)13-6-8(4-3-5-14)9(11)12-10(13)15/h6-7,14H,5H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one?
4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one has a molecular weight of 207.23 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 169267146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).