5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one

C15H14N4O3 — CID 59749146

IUPAC5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESNc1ncc(-c2ccc(=O)n(CCO)c2)c(-c2ccco2)n1
InChIInChI=1S/C15H14N4O3/c16-15-17-8-11(14(18-15)12-2-1-7-22-12)10-3-4-13(21)19(9-10)5-6-20/h1-4,7-9,20H,5-6H2,(H2,16,17,18)
InChIKeyRVYDWJTXPCBOAA-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.14
Rot. Bonds4

About 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one

5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 59749146) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID59749146
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESNc1ncc(-c2ccc(=O)n(CCO)c2)c(-c2ccco2)n1
InChIInChI=1S/C15H14N4O3/c16-15-17-8-11(14(18-15)12-2-1-7-22-12)10-3-4-13(21)19(9-10)5-6-20/h1-4,7-9,20H,5-6H2,(H2,16,17,18)
InChIKeyRVYDWJTXPCBOAA-UHFFFAOYSA-N
XLogP1.14
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one (CID 59749146) is 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one is Nc1ncc(-c2ccc(=O)n(CCO)c2)c(-c2ccco2)n1.
What is the InChIKey of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is RVYDWJTXPCBOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-15-17-8-11(14(18-15)12-2-1-7-22-12)10-3-4-13(21)19(9-10)5-6-20/h1-4,7-9,20H,5-6H2,(H2,16,17,18).
What are the key properties of 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one?
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 298.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 59749146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).