(2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide

C19H23FN4O3S — CID 9160438

IUPAC(2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCSc1nc(C)c(CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C19H23FN4O3S/c1-11-16(12(2)22-19(21-11)28-4)9-10-17(25)23-24-18(26)13(3)27-15-7-5-14(20)6-8-15/h5-8,13H,9-10H2,1-4H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeySVQIETOFCWVKPZ-CYBMUJFWSA-N
MW406.48 g/mol
LogP2.50
Rot. Bonds7

About (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide

(2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9160438) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9160438
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name(2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCSc1nc(C)c(CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C19H23FN4O3S/c1-11-16(12(2)22-19(21-11)28-4)9-10-17(25)23-24-18(26)13(3)27-15-7-5-14(20)6-8-15/h5-8,13H,9-10H2,1-4H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeySVQIETOFCWVKPZ-CYBMUJFWSA-N
XLogP2.50
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9160438) is (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is CSc1nc(C)c(CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)n1.
What is the InChIKey of (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is SVQIETOFCWVKPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-11-16(12(2)22-19(21-11)28-4)9-10-17(25)23-24-18(26)13(3)27-15-7-5-14(20)6-8-15/h5-8,13H,9-10H2,1-4H3,(H,23,25)(H,24,26)/t13-/m1/s1.
What are the key properties of (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
(2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 406.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9160438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).