4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one

C11H13N3O3 — CID 166257254

IUPAC4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one
SMILESCc1ccc(C(O)CNc2cc(=O)[nH]cn2)o1
InChIInChI=1S/C11H13N3O3/c1-7-2-3-9(17-7)8(15)5-12-10-4-11(16)14-6-13-10/h2-4,6,8,15H,5H2,1H3,(H2,12,13,14,16)
InChIKeyUNXTUZMJMWCLFO-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.82
Rot. Bonds4

About 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one

4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one (PubChem CID 166257254) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one
PubChem CID166257254
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one
SMILESCc1ccc(C(O)CNc2cc(=O)[nH]cn2)o1
InChIInChI=1S/C11H13N3O3/c1-7-2-3-9(17-7)8(15)5-12-10-4-11(16)14-6-13-10/h2-4,6,8,15H,5H2,1H3,(H2,12,13,14,16)
InChIKeyUNXTUZMJMWCLFO-UHFFFAOYSA-N
XLogP0.82
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one (CID 166257254) is 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one is Cc1ccc(C(O)CNc2cc(=O)[nH]cn2)o1.
What is the InChIKey of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one?
The InChIKey is UNXTUZMJMWCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-2-3-9(17-7)8(15)5-12-10-4-11(16)14-6-13-10/h2-4,6,8,15H,5H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one?
4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one has a molecular weight of 235.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 166257254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).