3-(3-amino-2-hydroxypropyl)pyrimidin-4-one

C7H11N3O2 — CID 63768319

IUPAC3-(3-amino-2-hydroxypropyl)pyrimidin-4-one
SMILESNCC(O)Cn1cnccc1=O
InChIInChI=1S/C7H11N3O2/c8-3-6(11)4-10-5-9-2-1-7(10)12/h1-2,5-6,11H,3-4,8H2
InChIKeyZJURCYQPVVSQCG-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.44
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one

3-(3-amino-2-hydroxypropyl)pyrimidin-4-one (PubChem CID 63768319) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)pyrimidin-4-one
PubChem CID63768319
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(3-amino-2-hydroxypropyl)pyrimidin-4-one
SMILESNCC(O)Cn1cnccc1=O
InChIInChI=1S/C7H11N3O2/c8-3-6(11)4-10-5-9-2-1-7(10)12/h1-2,5-6,11H,3-4,8H2
InChIKeyZJURCYQPVVSQCG-UHFFFAOYSA-N
XLogP-1.44
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one (CID 63768319) is 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one is NCC(O)Cn1cnccc1=O.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one?
The InChIKey is ZJURCYQPVVSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-3-6(11)4-10-5-9-2-1-7(10)12/h1-2,5-6,11H,3-4,8H2.
What are the key properties of 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one?
3-(3-amino-2-hydroxypropyl)pyrimidin-4-one has a molecular weight of 169.18 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 63768319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).