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

C9H13N3O2 — CID 115114318

IUPAC5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESNc1cn(CC2CCCO2)cnc1=O
InChIInChI=1S/C9H13N3O2/c10-8-5-12(6-11-9(8)13)4-7-2-1-3-14-7/h5-7H,1-4,10H2
InChIKeyTXZDJGACBBCLIB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.00
Rot. Bonds2

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

5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 115114318) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID115114318
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESNc1cn(CC2CCCO2)cnc1=O
InChIInChI=1S/C9H13N3O2/c10-8-5-12(6-11-9(8)13)4-7-2-1-3-14-7/h5-7H,1-4,10H2
InChIKeyTXZDJGACBBCLIB-UHFFFAOYSA-N
XLogP0.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 115114318) is 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one is Nc1cn(CC2CCCO2)cnc1=O.
What is the InChIKey of 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is TXZDJGACBBCLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-8-5-12(6-11-9(8)13)4-7-2-1-3-14-7/h5-7H,1-4,10H2.
What are the key properties of 5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one?
5-amino-1-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.00, 2 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-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115114318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).