(E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide

C14H14N4O2 — CID 146516014

IUPAC(E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1Nc1ncncc1O
InChIInChI=1S/C14H14N4O2/c1-2-5-13(20)17-10-6-3-4-7-11(10)18-14-12(19)8-15-9-16-14/h2-9,19H,1H3,(H,17,20)(H,15,16,18)/b5-2+
InChIKeyPKPVPHCGBZLTSR-GORDUTHDSA-N
MW270.29 g/mol
LogP2.44
Rot. Bonds4

About (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide

(E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide (PubChem CID 146516014) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide
PubChem CID146516014
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1Nc1ncncc1O
InChIInChI=1S/C14H14N4O2/c1-2-5-13(20)17-10-6-3-4-7-11(10)18-14-12(19)8-15-9-16-14/h2-9,19H,1H3,(H,17,20)(H,15,16,18)/b5-2+
InChIKeyPKPVPHCGBZLTSR-GORDUTHDSA-N
XLogP2.44
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide (CID 146516014) is (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccccc1Nc1ncncc1O.
What is the InChIKey of (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide?
The InChIKey is PKPVPHCGBZLTSR-GORDUTHDSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-5-13(20)17-10-6-3-4-7-11(10)18-14-12(19)8-15-9-16-14/h2-9,19H,1H3,(H,17,20)(H,15,16,18)/b5-2+.
What are the key properties of (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide?
(E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide has a molecular weight of 270.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(5-hydroxypyrimidin-4-yl)amino]phenyl]but-2-enamide is sourced from PubChem (CID 146516014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).