(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide

C16H17N3O2 — CID 121121239

IUPAC(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCc1cncn(CCNC(=O)/C=C/c2ccccc2)c1=O
InChIInChI=1S/C16H17N3O2/c1-13-11-17-12-19(16(13)21)10-9-18-15(20)8-7-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,18,20)/b8-7+
InChIKeyBAMMHUZVGQLERU-BQYQJAHWSA-N
MW283.33 g/mol
LogP1.38
Rot. Bonds5

About (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 121121239) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID121121239
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCc1cncn(CCNC(=O)/C=C/c2ccccc2)c1=O
InChIInChI=1S/C16H17N3O2/c1-13-11-17-12-19(16(13)21)10-9-18-15(20)8-7-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,18,20)/b8-7+
InChIKeyBAMMHUZVGQLERU-BQYQJAHWSA-N
XLogP1.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.38
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-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide (CID 121121239) is (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide is Cc1cncn(CCNC(=O)/C=C/c2ccccc2)c1=O.
What is the InChIKey of (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is BAMMHUZVGQLERU-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-13-11-17-12-19(16(13)21)10-9-18-15(20)8-7-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,18,20)/b8-7+.
What are the key properties of (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 121121239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).