5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one

C9H13N3O3 — CID 136976493

IUPAC5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCOC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-14-7-8(10-5-11-9(7)13)12-6-2-3-15-4-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyRCDDWFCYTRZLLX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.02
Rot. Bonds3

About 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one

5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976493) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136976493
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCOC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-14-7-8(10-5-11-9(7)13)12-6-2-3-15-4-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyRCDDWFCYTRZLLX-UHFFFAOYSA-N
XLogP-0.02
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (CID 136976493) is 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is COc1c(NC2CCOC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is RCDDWFCYTRZLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-7-8(10-5-11-9(7)13)12-6-2-3-15-4-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).