2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C10H12N6OS — CID 80925999

IUPAC2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(NN)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H12N6OS/c1-5-8(16-11)13-6(2)14-9(5)18-10-12-4-3-7(17)15-10/h3-4H,11H2,1-2H3,(H,12,15,17)(H,13,14,16)
InChIKeyMHJACSYMHJFCLH-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.61
Rot. Bonds3

About 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80925999) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80925999
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(NN)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H12N6OS/c1-5-8(16-11)13-6(2)14-9(5)18-10-12-4-3-7(17)15-10/h3-4H,11H2,1-2H3,(H,12,15,17)(H,13,14,16)
InChIKeyMHJACSYMHJFCLH-UHFFFAOYSA-N
XLogP0.61
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.61
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-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 81000545
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893548
2-(6-amino-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893151
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925407
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 112750793
2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80924203
2-(4-aminopyrimidin-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 116798194
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 63728381

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80925999) is 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is Cc1nc(NN)c(C)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MHJACSYMHJFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-5-8(16-11)13-6(2)14-9(5)18-10-12-4-3-7(17)15-10/h3-4H,11H2,1-2H3,(H,12,15,17)(H,13,14,16).
What are the key properties of 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 264.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80925999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).