[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate

C20H19N3O4 — CID 55492614

IUPAC[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate
SMILESCC(OC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ncccn1
InChIInChI=1S/C20H19N3O4/c1-14(19(25)23-20-21-12-5-13-22-20)26-18(24)11-9-16-8-10-17(27-16)15-6-3-2-4-7-15/h2-8,10,12-14H,9,11H2,1H3,(H,21,22,23,25)
InChIKeyZCARGSXUJYWBMI-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.24
Rot. Bonds7

About [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate

[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate (PubChem CID 55492614) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate.

Molecular Properties

Compound Name[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate
PubChem CID55492614
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate
SMILESCC(OC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ncccn1
InChIInChI=1S/C20H19N3O4/c1-14(19(25)23-20-21-12-5-13-22-20)26-18(24)11-9-16-8-10-17(27-16)15-6-3-2-4-7-15/h2-8,10,12-14H,9,11H2,1H3,(H,21,22,23,25)
InChIKeyZCARGSXUJYWBMI-UHFFFAOYSA-N
XLogP3.24
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate?
The IUPAC name of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate (CID 55492614) is [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate.
What is the SMILES notation for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate?
The canonical SMILES for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate is CC(OC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ncccn1.
What is the InChIKey of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate?
The InChIKey is ZCARGSXUJYWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14(19(25)23-20-21-12-5-13-22-20)26-18(24)11-9-16-8-10-17(27-16)15-6-3-2-4-7-15/h2-8,10,12-14H,9,11H2,1H3,(H,21,22,23,25).
What are the key properties of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate?
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate has a molecular weight of 365.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate is sourced from PubChem (CID 55492614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).