(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine

C11H12N6S — CID 80979379

IUPAC(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESNNc1cc(Sc2ncccn2)nc(C2CC2)n1
InChIInChI=1S/C11H12N6S/c12-17-8-6-9(16-10(15-8)7-2-3-7)18-11-13-4-1-5-14-11/h1,4-7H,2-3,12H2,(H,15,16,17)
InChIKeyDZWSGAYANSTBCQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.58
Rot. Bonds4

About (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine

(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80979379) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80979379
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESNNc1cc(Sc2ncccn2)nc(C2CC2)n1
InChIInChI=1S/C11H12N6S/c12-17-8-6-9(16-10(15-8)7-2-3-7)18-11-13-4-1-5-14-11/h1,4-7H,2-3,12H2,(H,15,16,17)
InChIKeyDZWSGAYANSTBCQ-UHFFFAOYSA-N
XLogP1.58
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.58
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

[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979587
[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980174
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503
[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980397
[2-cyclopropyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980300
[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766282
[2-cyclopropyl-6-(2-methylpropylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979578
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 114793160
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964386
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80979379) is (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine is NNc1cc(Sc2ncccn2)nc(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is DZWSGAYANSTBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c12-17-8-6-9(16-10(15-8)7-2-3-7)18-11-13-4-1-5-14-11/h1,4-7H,2-3,12H2,(H,15,16,17).
What are the key properties of (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine?
(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 260.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80979379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).