5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one

C8H11N3O3 — CID 103241684

IUPAC5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2CCOC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c9-6-7(12)10-4-11-8(6)14-5-1-2-13-3-5/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyCGNFSZISVHJNHY-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.48
Rot. Bonds2

About 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one

5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241684) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID103241684
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2CCOC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c9-6-7(12)10-4-11-8(6)14-5-1-2-13-3-5/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyCGNFSZISVHJNHY-UHFFFAOYSA-N
XLogP-0.48
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one (CID 103241684) is 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one is Nc1c(OC2CCOC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is CGNFSZISVHJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-6-7(12)10-4-11-8(6)14-5-1-2-13-3-5/h4-5H,1-3,9H2,(H,10,11,12).
What are the key properties of 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 197.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxolan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).