[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine

C14H15ClN4S — CID 114793160

IUPAC[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(SCc2ccc(Cl)cc2)nc(C2CC2)n1
InChIInChI=1S/C14H15ClN4S/c15-11-5-1-9(2-6-11)8-20-13-7-12(19-16)17-14(18-13)10-3-4-10/h1-2,5-7,10H,3-4,8,16H2,(H,17,18,19)
InChIKeyOUTOVRXVGLRGMF-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.59
Rot. Bonds5

About [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine

[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine (PubChem CID 114793160) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine
PubChem CID114793160
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(SCc2ccc(Cl)cc2)nc(C2CC2)n1
InChIInChI=1S/C14H15ClN4S/c15-11-5-1-9(2-6-11)8-20-13-7-12(19-16)17-14(18-13)10-3-4-10/h1-2,5-7,10H,3-4,8,16H2,(H,17,18,19)
InChIKeyOUTOVRXVGLRGMF-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.59
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-(4-Chloro-benzylsulfanyl)-pyrimidine-4,6-diamine
CID 865849
(2-Benzylsulfanyl-6-chloro-pyrimidin-4-yl)hydrazine
CID 470493
4-N-benzyl-6-[(4-chlorophenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 44374108
2-(4-Chlorophenyl)-4,6-bis(methylsulfanyl)pyrimidine
CID 121000622
[2-Cyclopropyl-6-(2-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80979186
[2-Cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80979394
[2-Cyclopropyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80979967
[2-Cyclopropyl-6-(2,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980070
[2-Cyclopropyl-6-(3,4-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980285
[2-Cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980397
2-[(4-Chloro-3-fluorophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 102794529
[4-[(2-Chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 103291623

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine (CID 114793160) is [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine is NNc1cc(SCc2ccc(Cl)cc2)nc(C2CC2)n1.
What is the InChIKey of [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine?
The InChIKey is OUTOVRXVGLRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c15-11-5-1-9(2-6-11)8-20-13-7-12(19-16)17-14(18-13)10-3-4-10/h1-2,5-7,10H,3-4,8,16H2,(H,17,18,19).
What are the key properties of [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine?
[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine has a molecular weight of 306.82 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114793160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).