[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

C14H15ClN4S — CID 81001101

IUPAC[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4S/c1-8-12(19-16)17-13(9-2-3-9)18-14(8)20-11-6-4-10(15)5-7-11/h4-7,9H,2-3,16H2,1H3,(H,17,18,19)
InChIKeyYSVLLGHPTIJHIC-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.75
Rot. Bonds4

About [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81001101) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81001101
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4S/c1-8-12(19-16)17-13(9-2-3-9)18-14(8)20-11-6-4-10(15)5-7-11/h4-7,9H,2-3,16H2,1H3,(H,17,18,19)
InChIKeyYSVLLGHPTIJHIC-UHFFFAOYSA-N
XLogP3.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.75
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-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 81000447
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001755
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80994859
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
4-chloro-2-cyclopropyl-5-methyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80970415
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (CID 81001101) is [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1Sc1ccc(Cl)cc1.
What is the InChIKey of [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is YSVLLGHPTIJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-8-12(19-16)17-13(9-2-3-9)18-14(8)20-11-6-4-10(15)5-7-11/h4-7,9H,2-3,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 306.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).