5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one

C6H9ClN4O — CID 136976649

IUPAC5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one
SMILESCN(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C6H9ClN4O/c1-11(2)10-5-4(7)6(12)9-3-8-5/h3H,1-2H3,(H2,8,9,10,12)
InChIKeyXMEGFASXVRMCSC-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.31
Rot. Bonds2

About 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one

5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one (PubChem CID 136976649) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one
PubChem CID136976649
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one
SMILESCN(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C6H9ClN4O/c1-11(2)10-5-4(7)6(12)9-3-8-5/h3H,1-2H3,(H2,8,9,10,12)
InChIKeyXMEGFASXVRMCSC-UHFFFAOYSA-N
XLogP0.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971242
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976977
4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136977546
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
5-chloro-4-[(3-chloro-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 137001404
5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one (CID 136976649) is 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one is CN(C)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one?
The InChIKey is XMEGFASXVRMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-11(2)10-5-4(7)6(12)9-3-8-5/h3H,1-2H3,(H2,8,9,10,12).
What are the key properties of 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one?
5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one has a molecular weight of 188.62 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).