5-amino-1-(oxan-2-yl)pyrimidin-4-one

C9H13N3O2 — CID 115114306

IUPAC5-amino-1-(oxan-2-yl)pyrimidin-4-one
SMILESNc1cn(C2CCCCO2)cnc1=O
InChIInChI=1S/C9H13N3O2/c10-7-5-12(6-11-9(7)13)8-3-1-2-4-14-8/h5-6,8H,1-4,10H2
InChIKeyXJNVMGUSEIRXAS-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.52
Rot. Bonds1

About 5-amino-1-(oxan-2-yl)pyrimidin-4-one

5-amino-1-(oxan-2-yl)pyrimidin-4-one (PubChem CID 115114306) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-1-(oxan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(oxan-2-yl)pyrimidin-4-one
PubChem CID115114306
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-1-(oxan-2-yl)pyrimidin-4-one
SMILESNc1cn(C2CCCCO2)cnc1=O
InChIInChI=1S/C9H13N3O2/c10-7-5-12(6-11-9(7)13)8-3-1-2-4-14-8/h5-6,8H,1-4,10H2
InChIKeyXJNVMGUSEIRXAS-UHFFFAOYSA-N
XLogP0.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(oxan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(oxan-2-yl)pyrimidin-4-one (CID 115114306) is 5-amino-1-(oxan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(oxan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(oxan-2-yl)pyrimidin-4-one is Nc1cn(C2CCCCO2)cnc1=O.
What is the InChIKey of 5-amino-1-(oxan-2-yl)pyrimidin-4-one?
The InChIKey is XJNVMGUSEIRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-5-12(6-11-9(7)13)8-3-1-2-4-14-8/h5-6,8H,1-4,10H2.
What are the key properties of 5-amino-1-(oxan-2-yl)pyrimidin-4-one?
5-amino-1-(oxan-2-yl)pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(oxan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 115114306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).