(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine

C12H10N6S — CID 80924768

IUPAC(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
SMILESNNc1nc(Sc2ncccn2)c2ccccc2n1
InChIInChI=1S/C12H10N6S/c13-18-11-16-9-5-2-1-4-8(9)10(17-11)19-12-14-6-3-7-15-12/h1-7H,13H2,(H,16,17,18)
InChIKeyCSYKIKQBSOJVNZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.86
Rot. Bonds3

About (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine

(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine (PubChem CID 80924768) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
PubChem CID80924768
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
SMILESNNc1nc(Sc2ncccn2)c2ccccc2n1
InChIInChI=1S/C12H10N6S/c13-18-11-16-9-5-2-1-4-8(9)10(17-11)19-12-14-6-3-7-15-12/h1-7H,13H2,(H,16,17,18)
InChIKeyCSYKIKQBSOJVNZ-UHFFFAOYSA-N
XLogP1.86
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.86
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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Related Compounds

[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine
CID 80924343
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80925442
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
CID 80930019
N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide
CID 114235259
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
(4-phenylmethoxyquinazolin-2-yl)hydrazine
CID 80909889
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
2-(2-chloroquinazolin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 62477361

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine?
The IUPAC name of (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine (CID 80924768) is (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine.
What is the SMILES notation for (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine?
The canonical SMILES for (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine is NNc1nc(Sc2ncccn2)c2ccccc2n1.
What is the InChIKey of (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine?
The InChIKey is CSYKIKQBSOJVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c13-18-11-16-9-5-2-1-4-8(9)10(17-11)19-12-14-6-3-7-15-12/h1-7H,13H2,(H,16,17,18).
What are the key properties of (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine?
(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine has a molecular weight of 270.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine is sourced from PubChem (CID 80924768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).