(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide

C15H14N4O3 — CID 98271029

IUPAC(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide
SMILESCCc1oc(C(=O)[C@@H](C#N)C(=O)Nc2ncccn2)cc1C
InChIInChI=1S/C15H14N4O3/c1-3-11-9(2)7-12(22-11)13(20)10(8-16)14(21)19-15-17-5-4-6-18-15/h4-7,10H,3H2,1-2H3,(H,17,18,19,21)/t10-/m1/s1
InChIKeyUGIVJFVNXOBMGX-SNVBAGLBSA-N
MW298.30 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide

(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide (PubChem CID 98271029) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide
PubChem CID98271029
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide
SMILESCCc1oc(C(=O)[C@@H](C#N)C(=O)Nc2ncccn2)cc1C
InChIInChI=1S/C15H14N4O3/c1-3-11-9(2)7-12(22-11)13(20)10(8-16)14(21)19-15-17-5-4-6-18-15/h4-7,10H,3H2,1-2H3,(H,17,18,19,21)/t10-/m1/s1
InChIKeyUGIVJFVNXOBMGX-SNVBAGLBSA-N
XLogP1.90
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide (CID 98271029) is (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide is CCc1oc(C(=O)[C@@H](C#N)C(=O)Nc2ncccn2)cc1C.
What is the InChIKey of (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide?
The InChIKey is UGIVJFVNXOBMGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-11-9(2)7-12(22-11)13(20)10(8-16)14(21)19-15-17-5-4-6-18-15/h4-7,10H,3H2,1-2H3,(H,17,18,19,21)/t10-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide?
(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide has a molecular weight of 298.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 98271029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).