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

C13H22N4OS — CID 81001666

IUPAC[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1SC1CCOCC1
InChIInChI=1S/C13H22N4OS/c1-8(2)11-15-12(17-14)9(3)13(16-11)19-10-4-6-18-7-5-10/h8,10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyGASRKRZANRATCZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.47
Rot. Bonds4

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

[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81001666) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81001666
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1SC1CCOCC1
InChIInChI=1S/C13H22N4OS/c1-8(2)11-15-12(17-14)9(3)13(16-11)19-10-4-6-18-7-5-10/h8,10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyGASRKRZANRATCZ-UHFFFAOYSA-N
XLogP2.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.47
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'}

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Related Compounds

[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80995930
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634
(6-cyclopentylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80929974
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843
(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
[5-methyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001712
[3,5-dichloro-6-(oxan-4-ylsulfanyl)-2-pyridinyl]hydrazine
CID 102763303
N-(2,2-dimethyloxan-4-yl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83036694

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81001666) is [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)C)nc1SC1CCOCC1.
What is the InChIKey of [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is GASRKRZANRATCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8(2)11-15-12(17-14)9(3)13(16-11)19-10-4-6-18-7-5-10/h8,10H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).