[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine

C14H17ClN4S — CID 81001570

IUPAC[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN4S/c1-3-5-12-17-13(19-16)9(2)14(18-12)20-11-7-4-6-10(15)8-11/h4,6-8H,3,5,16H2,1-2H3,(H,17,18,19)
InChIKeyWUNPLSUKBVGGRH-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.83
Rot. Bonds5

About [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine

[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 81001570) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
PubChem CID81001570
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN4S/c1-3-5-12-17-13(19-16)9(2)14(18-12)20-11-7-4-6-10(15)8-11/h4,6-8H,3,5,16H2,1-2H3,(H,17,18,19)
InChIKeyWUNPLSUKBVGGRH-UHFFFAOYSA-N
XLogP3.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000777
[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001759
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
(6-chloro-2-propylquinazolin-4-yl)hydrazine
CID 106583784
(7-chloro-2-propylquinazolin-4-yl)hydrazine
CID 106583898
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine (CID 81001570) is [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)c(C)c(Sc2cccc(Cl)c2)n1.
What is the InChIKey of [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is WUNPLSUKBVGGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-3-5-12-17-13(19-16)9(2)14(18-12)20-11-7-4-6-10(15)8-11/h4,6-8H,3,5,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 308.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).