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

C10H15N3O2 — CID 115114330

IUPAC5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESNc1cn(CC2CCCCO2)cnc1=O
InChIInChI=1S/C10H15N3O2/c11-9-6-13(7-12-10(9)14)5-8-3-1-2-4-15-8/h6-8H,1-5,11H2
InChIKeyXVFTVUWFAQWLJC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds2

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

5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 115114330) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID115114330
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESNc1cn(CC2CCCCO2)cnc1=O
InChIInChI=1S/C10H15N3O2/c11-9-6-13(7-12-10(9)14)5-8-3-1-2-4-15-8/h6-8H,1-5,11H2
InChIKeyXVFTVUWFAQWLJC-UHFFFAOYSA-N
XLogP0.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
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-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one (CID 115114330) is 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one is Nc1cn(CC2CCCCO2)cnc1=O.
What is the InChIKey of 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is XVFTVUWFAQWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9-6-13(7-12-10(9)14)5-8-3-1-2-4-15-8/h6-8H,1-5,11H2.
What are the key properties of 5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one?
5-amino-1-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.39, 2 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-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115114330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).