N-(2-phenoxypyrimidin-5-yl)prop-2-enamide

C13H11N3O2 — CID 139021184

IUPACN-(2-phenoxypyrimidin-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C13H11N3O2/c1-2-12(17)16-10-8-14-13(15-9-10)18-11-6-4-3-5-7-11/h2-9H,1H2,(H,16,17)
InChIKeyRCBNQTCRKPCMGC-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.39
Rot. Bonds4

About N-(2-phenoxypyrimidin-5-yl)prop-2-enamide

N-(2-phenoxypyrimidin-5-yl)prop-2-enamide (PubChem CID 139021184) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-phenoxypyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-phenoxypyrimidin-5-yl)prop-2-enamide
PubChem CID139021184
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(2-phenoxypyrimidin-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C13H11N3O2/c1-2-12(17)16-10-8-14-13(15-9-10)18-11-6-4-3-5-7-11/h2-9H,1H2,(H,16,17)
InChIKeyRCBNQTCRKPCMGC-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-phenoxypyrimidin-5-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
CID 89266732
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
CID 166414548
N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
CID 86098575

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypyrimidin-5-yl)prop-2-enamide?
The IUPAC name of N-(2-phenoxypyrimidin-5-yl)prop-2-enamide (CID 139021184) is N-(2-phenoxypyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for N-(2-phenoxypyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for N-(2-phenoxypyrimidin-5-yl)prop-2-enamide is C=CC(=O)Nc1cnc(Oc2ccccc2)nc1.
What is the InChIKey of N-(2-phenoxypyrimidin-5-yl)prop-2-enamide?
The InChIKey is RCBNQTCRKPCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-2-12(17)16-10-8-14-13(15-9-10)18-11-6-4-3-5-7-11/h2-9H,1H2,(H,16,17).
What are the key properties of N-(2-phenoxypyrimidin-5-yl)prop-2-enamide?
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide has a molecular weight of 241.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 139021184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).