6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one

C9H9N3O2 — CID 666825

IUPAC6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NCc2ccco2)[nH]1
InChIInChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)
InChIKeyPPZNKEWLJJEHRV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.98
Rot. Bonds3

About 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one

6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one (PubChem CID 666825) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one
PubChem CID666825
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NCc2ccco2)[nH]1
InChIInChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)
InChIKeyPPZNKEWLJJEHRV-UHFFFAOYSA-N
XLogP0.98
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one (CID 666825) is 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one is O=c1nccc(NCc2ccco2)[nH]1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one?
The InChIKey is PPZNKEWLJJEHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13).
What are the key properties of 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one?
6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).