N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide

C19H17FN4O2 — CID 71899302

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
SMILESCc1cc(C)nc(NNC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1
InChIInChI=1S/C19H17FN4O2/c1-12-11-13(2)22-19(21-12)24-23-18(25)10-8-14-7-9-17(26-14)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyLPIHESUXWDNIBA-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.65
Rot. Bonds5

About N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide (PubChem CID 71899302) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
PubChem CID71899302
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
SMILESCc1cc(C)nc(NNC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1
InChIInChI=1S/C19H17FN4O2/c1-12-11-13(2)22-19(21-12)24-23-18(25)10-8-14-7-9-17(26-14)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyLPIHESUXWDNIBA-UHFFFAOYSA-N
XLogP3.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
CID 9428099
(E)-3-(1,3-benzoxazol-2-yl)-N'-(4,6-dimethylpyrimidin-2-yl)prop-2-enehydrazide
CID 75362302
methyl (2R)-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9278098
1-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9428126
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]prop-2-enamide
CID 17103606
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
CID 39725906
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 27041698
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 8940077
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 9185084
N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide
CID 16558973

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide (CID 71899302) is N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide is Cc1cc(C)nc(NNC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
The InChIKey is LPIHESUXWDNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-11-13(2)22-19(21-12)24-23-18(25)10-8-14-7-9-17(26-14)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide has a molecular weight of 352.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide is sourced from PubChem (CID 71899302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).