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

C9H13N3O3 — CID 103241463

IUPAC5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c10-7-8(13)11-5-12-9(7)15-6-1-3-14-4-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyZOHGEWRBHZAFMM-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.09
Rot. Bonds2

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

5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241463) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one
PubChem CID103241463
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c10-7-8(13)11-5-12-9(7)15-6-1-3-14-4-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyZOHGEWRBHZAFMM-UHFFFAOYSA-N
XLogP-0.09
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one (CID 103241463) is 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one is Nc1c(OC2CCOCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
The InChIKey is ZOHGEWRBHZAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-7-8(13)11-5-12-9(7)15-6-1-3-14-4-2-6/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).