[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine

C14H17ClN4S — CID 66146870

IUPAC[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN4S/c1-2-4-11-8-13(19-16)18-14(17-11)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9,16H2,1H3,(H,17,18,19)
InChIKeyMAFIYVNQXVGPGU-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.66
Rot. Bonds6

About [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine

[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 66146870) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
PubChem CID66146870
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN4S/c1-2-4-11-8-13(19-16)18-14(17-11)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9,16H2,1H3,(H,17,18,19)
InChIKeyMAFIYVNQXVGPGU-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.66
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

[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66145462
2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66148751
4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine
CID 65142097
[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086445
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
3-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-1,2,4-oxadiazol-5-amine
CID 66148538
5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 63487103
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine (CID 66146870) is [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(CSc2cccc(Cl)c2)n1.
What is the InChIKey of [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is MAFIYVNQXVGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-2-4-11-8-13(19-16)18-14(17-11)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9,16H2,1H3,(H,17,18,19).
What are the key properties of [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 308.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66146870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).