2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C9H10N6OS — CID 80925407

IUPAC2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(Sc2nccc(=O)[nH]2)nc(NN)n1
InChIInChI=1S/C9H10N6OS/c1-5-4-7(14-8(12-5)15-10)17-9-11-3-2-6(16)13-9/h2-4H,10H2,1H3,(H,11,13,16)(H,12,14,15)
InChIKeyQUKDJUHPDJRPBH-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.31
Rot. Bonds3

About 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80925407) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80925407
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(Sc2nccc(=O)[nH]2)nc(NN)n1
InChIInChI=1S/C9H10N6OS/c1-5-4-7(14-8(12-5)15-10)17-9-11-3-2-6(16)13-9/h2-4H,10H2,1H3,(H,11,13,16)(H,12,14,15)
InChIKeyQUKDJUHPDJRPBH-UHFFFAOYSA-N
XLogP0.31
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
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-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80924203
2-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 114566668
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925999
2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 112750793
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
2-(4-aminopyrimidin-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 116798194
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 80654238
2-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 81000545
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80925407) is 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is Cc1cc(Sc2nccc(=O)[nH]2)nc(NN)n1.
What is the InChIKey of 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is QUKDJUHPDJRPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c1-5-4-7(14-8(12-5)15-10)17-9-11-3-2-6(16)13-9/h2-4H,10H2,1H3,(H,11,13,16)(H,12,14,15).
What are the key properties of 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 250.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80925407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).