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

C8H11N3O2 — CID 115114294

IUPAC5-amino-1-(oxolan-2-yl)pyrimidin-4-one
SMILESNc1cn(C2CCCO2)cnc1=O
InChIInChI=1S/C8H11N3O2/c9-6-4-11(5-10-8(6)12)7-2-1-3-13-7/h4-5,7H,1-3,9H2
InChIKeyVKHDRDUWSAFLAH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds1

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

5-amino-1-(oxolan-2-yl)pyrimidin-4-one (PubChem CID 115114294) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-amino-1-(oxolan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(oxolan-2-yl)pyrimidin-4-one
PubChem CID115114294
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-amino-1-(oxolan-2-yl)pyrimidin-4-one
SMILESNc1cn(C2CCCO2)cnc1=O
InChIInChI=1S/C8H11N3O2/c9-6-4-11(5-10-8(6)12)7-2-1-3-13-7/h4-5,7H,1-3,9H2
InChIKeyVKHDRDUWSAFLAH-UHFFFAOYSA-N
XLogP0.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-(3-methoxypropyl)pyrimidin-4-one
CID 115114221
5-Amino-1-(oxolan-3-yl)pyrimidin-4-one
CID 115114234
5-Amino-1-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 115114258
5-Amino-1-(oxan-2-yl)pyrimidin-4-one
CID 115114306

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(oxolan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(oxolan-2-yl)pyrimidin-4-one (CID 115114294) is 5-amino-1-(oxolan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(oxolan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(oxolan-2-yl)pyrimidin-4-one is Nc1cn(C2CCCO2)cnc1=O.
What is the InChIKey of 5-amino-1-(oxolan-2-yl)pyrimidin-4-one?
The InChIKey is VKHDRDUWSAFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-4-11(5-10-8(6)12)7-2-1-3-13-7/h4-5,7H,1-3,9H2.
What are the key properties of 5-amino-1-(oxolan-2-yl)pyrimidin-4-one?
5-amino-1-(oxolan-2-yl)pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(oxolan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 115114294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).