[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine

C11H18N4OS — CID 80995930

IUPAC[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1SC1COC1
InChIInChI=1S/C11H18N4OS/c1-6(2)9-13-10(15-12)7(3)11(14-9)17-8-4-16-5-8/h6,8H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyMCTLQGARZJDVFT-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.68
Rot. Bonds4

About [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine

[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80995930) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80995930
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1SC1COC1
InChIInChI=1S/C11H18N4OS/c1-6(2)9-13-10(15-12)7(3)11(14-9)17-8-4-16-5-8/h6,8H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyMCTLQGARZJDVFT-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001666
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 81001859
(6-cyclopentylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80929974
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001108

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80995930) is [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)C)nc1SC1COC1.
What is the InChIKey of [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is MCTLQGARZJDVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6(2)9-13-10(15-12)7(3)11(14-9)17-8-4-16-5-8/h6,8H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 254.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80995930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).