(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine

C14H16N4S — CID 81000447

IUPAC(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Sc1ccccc1
InChIInChI=1S/C14H16N4S/c1-9-12(18-15)16-13(10-7-8-10)17-14(9)19-11-5-3-2-4-6-11/h2-6,10H,7-8,15H2,1H3,(H,16,17,18)
InChIKeySLGVUKHYOQORTK-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.10
Rot. Bonds4

About (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine

(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 81000447) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID81000447
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Sc1ccccc1
InChIInChI=1S/C14H16N4S/c1-9-12(18-15)16-13(10-7-8-10)17-14(9)19-11-5-3-2-4-6-11/h2-6,10H,7-8,15H2,1H3,(H,16,17,18)
InChIKeySLGVUKHYOQORTK-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.10
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

[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001101
[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
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107604844
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 81000587

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine (CID 81000447) is (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine is Cc1c(NN)nc(C2CC2)nc1Sc1ccccc1.
What is the InChIKey of (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is SLGVUKHYOQORTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-12(18-15)16-13(10-7-8-10)17-14(9)19-11-5-3-2-4-6-11/h2-6,10H,7-8,15H2,1H3,(H,16,17,18).
What are the key properties of (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine?
(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 272.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 81000447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).