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

C13H17N5S — CID 80996244

IUPAC(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1ccncc1
InChIInChI=1S/C13H17N5S/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-10-4-6-15-7-5-10/h4-8H,14H2,1-3H3,(H,16,17,18)
InChIKeyAOFQNNIDGFVILD-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.74
Rot. Bonds4

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

(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80996244) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80996244
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1ccncc1
InChIInChI=1S/C13H17N5S/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-10-4-6-15-7-5-10/h4-8H,14H2,1-3H3,(H,16,17,18)
InChIKeyAOFQNNIDGFVILD-UHFFFAOYSA-N
XLogP2.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80996244) is (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is Cc1c(NN)nc(C(C)C)nc1Sc1ccncc1.
What is the InChIKey of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is AOFQNNIDGFVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8(2)11-16-12(18-14)9(3)13(17-11)19-10-4-6-15-7-5-10/h4-8H,14H2,1-3H3,(H,16,17,18).
What are the key properties of (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 275.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80996244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).