2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine

C12H19N5O2S — CID 80964275

IUPAC2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCC2CCS(=O)(=O)C2)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O2S/c13-17-11-5-10(15-12(16-11)9-1-2-9)14-6-8-3-4-20(18,19)7-8/h5,8-9H,1-4,6-7,13H2,(H2,14,15,16,17)
InChIKeyWZQIDSOTLVMAAF-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.49
Rot. Bonds5

About 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine

2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80964275) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80964275
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCC2CCS(=O)(=O)C2)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O2S/c13-17-11-5-10(15-12(16-11)9-1-2-9)14-6-8-3-4-20(18,19)7-8/h5,8-9H,1-4,6-7,13H2,(H2,14,15,16,17)
InChIKeyWZQIDSOTLVMAAF-UHFFFAOYSA-N
XLogP0.49
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.49
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

4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947458
N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80908878
N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80907896
3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702
2,6-ditert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyrimidin-4-amine
CID 133367935
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80964070
2-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 83077156
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564846
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
2-butylsulfanyl-4-N-[(1,1-dioxothiolan-3-yl)methyl]pyrimidine-4,6-diamine
CID 72905847
2-butylsulfanyl-4-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 97202528

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine (CID 80964275) is 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine is NNc1cc(NCC2CCS(=O)(=O)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is WZQIDSOTLVMAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c13-17-11-5-10(15-12(16-11)9-1-2-9)14-6-8-3-4-20(18,19)7-8/h5,8-9H,1-4,6-7,13H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 297.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80964275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).