5-amino-1-(oxolan-3-yl)pyrimidin-4-one

C8H11N3O2 — CID 115114234

IUPAC5-amino-1-(oxolan-3-yl)pyrimidin-4-one
SMILESNc1cn(C2CCOC2)cnc1=O
InChIInChI=1S/C8H11N3O2/c9-7-3-11(5-10-8(7)12)6-1-2-13-4-6/h3,5-6H,1-2,4,9H2
InChIKeyKZDAARREDRYBDN-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.21
Rot. Bonds1

About 5-amino-1-(oxolan-3-yl)pyrimidin-4-one

5-amino-1-(oxolan-3-yl)pyrimidin-4-one (PubChem CID 115114234) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-amino-1-(oxolan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(oxolan-3-yl)pyrimidin-4-one
PubChem CID115114234
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-amino-1-(oxolan-3-yl)pyrimidin-4-one
SMILESNc1cn(C2CCOC2)cnc1=O
InChIInChI=1S/C8H11N3O2/c9-7-3-11(5-10-8(7)12)6-1-2-13-4-6/h3,5-6H,1-2,4,9H2
InChIKeyKZDAARREDRYBDN-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-yl)-4H-pyrimidine-6-carboxamide
CID 145531715
5-Amino-1-(3-methoxypropyl)pyrimidin-4-one
CID 115114221
5-Amino-1-(2-methoxyethyl)pyrimidin-4-one
CID 115114227
5-Amino-1-(oxan-4-yl)pyrimidin-4-one
CID 115114246
5-Amino-1-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 115114258
5-Amino-1-(oxan-3-yl)pyrimidin-4-one
CID 115114282
5-Amino-1-(oxolan-2-yl)pyrimidin-4-one
CID 115114294
5-Amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 115114318
3-(Oxolan-3-yl)-3,4-dihydropyrimidin-4-one
CID 126857521

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(oxolan-3-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(oxolan-3-yl)pyrimidin-4-one (CID 115114234) is 5-amino-1-(oxolan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(oxolan-3-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(oxolan-3-yl)pyrimidin-4-one is Nc1cn(C2CCOC2)cnc1=O.
What is the InChIKey of 5-amino-1-(oxolan-3-yl)pyrimidin-4-one?
The InChIKey is KZDAARREDRYBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7-3-11(5-10-8(7)12)6-1-2-13-4-6/h3,5-6H,1-2,4,9H2.
What are the key properties of 5-amino-1-(oxolan-3-yl)pyrimidin-4-one?
5-amino-1-(oxolan-3-yl)pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of -0.21, 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-3-yl)pyrimidin-4-one is sourced from PubChem (CID 115114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).