(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine

C12H16N6S — CID 81001859

IUPAC(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1cnccn1
InChIInChI=1S/C12H16N6S/c1-7(2)10-16-11(18-13)8(3)12(17-10)19-9-6-14-4-5-15-9/h4-7H,13H2,1-3H3,(H,16,17,18)
InChIKeySKSZQFZTVQREOM-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.14
Rot. Bonds4

About (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine

(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 81001859) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID81001859
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1cnccn1
InChIInChI=1S/C12H16N6S/c1-7(2)10-16-11(18-13)8(3)12(17-10)19-9-6-14-4-5-15-9/h4-7H,13H2,1-3H3,(H,16,17,18)
InChIKeySKSZQFZTVQREOM-UHFFFAOYSA-N
XLogP2.14
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.14
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'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine (CID 81001859) is (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine is Cc1c(NN)nc(C(C)C)nc1Sc1cnccn1.
What is the InChIKey of (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is SKSZQFZTVQREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-7(2)10-16-11(18-13)8(3)12(17-10)19-9-6-14-4-5-15-9/h4-7H,13H2,1-3H3,(H,16,17,18).
What are the key properties of (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 276.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 81001859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).