[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine

C12H17N5OS — CID 106928843

IUPAC[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1coc(Sc2nc(C(C)C)nc(NN)c2C)n1
InChIInChI=1S/C12H17N5OS/c1-6(2)9-15-10(17-13)8(4)11(16-9)19-12-14-7(3)5-18-12/h5-6H,13H2,1-4H3,(H,15,16,17)
InChIKeyHUOQLPDAKIGUOV-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.64
Rot. Bonds4

About [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine

[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 106928843) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID106928843
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1coc(Sc2nc(C(C)C)nc(NN)c2C)n1
InChIInChI=1S/C12H17N5OS/c1-6(2)9-15-10(17-13)8(4)11(16-9)19-12-14-7(3)5-18-12/h5-6H,13H2,1-4H3,(H,15,16,17)
InChIKeyHUOQLPDAKIGUOV-UHFFFAOYSA-N
XLogP2.64
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 81001859
[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001108
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80995930
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001666
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 106928843) is [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1coc(Sc2nc(C(C)C)nc(NN)c2C)n1.
What is the InChIKey of [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is HUOQLPDAKIGUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-6(2)9-15-10(17-13)8(4)11(16-9)19-12-14-7(3)5-18-12/h5-6H,13H2,1-4H3,(H,15,16,17).
What are the key properties of [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 279.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106928843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).