2-amino-5-methoxy-1H-pyrimidin-6-one

C5H7N3O2 — CID 3288478

IUPAC2-amino-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(N)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9)
InChIKeyQWQSXGCANXFBCW-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.64
Rot. Bonds1

About 2-amino-5-methoxy-1H-pyrimidin-6-one

2-amino-5-methoxy-1H-pyrimidin-6-one (PubChem CID 3288478) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1H-pyrimidin-6-one
PubChem CID3288478
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-amino-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(N)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9)
InChIKeyQWQSXGCANXFBCW-UHFFFAOYSA-N
XLogP-0.64
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-methoxy-1H-pyrimidin-6-one (CID 3288478) is 2-amino-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-methoxy-1H-pyrimidin-6-one is COc1cnc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QWQSXGCANXFBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9).
What are the key properties of 2-amino-5-methoxy-1H-pyrimidin-6-one?
2-amino-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 3288478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).