(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide

C13H13N3O2 — CID 802434

IUPAC(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C13H13N3O2/c1-9-8-10(2)15-13(14-9)16-12(17)6-5-11-4-3-7-18-11/h3-8H,1-2H3,(H,14,15,16,17)/b6-5+
InChIKeyCAJITGFONOSGLR-AATRIKPKSA-N
MW243.27 g/mol
LogP2.34
Rot. Bonds3

About (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 802434) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID802434
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C13H13N3O2/c1-9-8-10(2)15-13(14-9)16-12(17)6-5-11-4-3-7-18-11/h3-8H,1-2H3,(H,14,15,16,17)/b6-5+
InChIKeyCAJITGFONOSGLR-AATRIKPKSA-N
XLogP2.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 802434) is (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide is Cc1cc(C)nc(NC(=O)/C=C/c2ccco2)n1.
What is the InChIKey of (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is CAJITGFONOSGLR-AATRIKPKSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-8-10(2)15-13(14-9)16-12(17)6-5-11-4-3-7-18-11/h3-8H,1-2H3,(H,14,15,16,17)/b6-5+.
What are the key properties of (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 243.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 802434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).