6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine

C9H15N5O2S — CID 80902625

IUPAC6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
SMILESCC1(Nc2cc(NN)ncn2)CCS(=O)(=O)C1
InChIInChI=1S/C9H15N5O2S/c1-9(2-3-17(15,16)5-9)13-7-4-8(14-10)12-6-11-7/h4,6H,2-3,5,10H2,1H3,(H2,11,12,13,14)
InChIKeyDNDRCGRBVBWDTJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.25
Rot. Bonds3

About 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine

6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine (PubChem CID 80902625) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
PubChem CID80902625
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
SMILESCC1(Nc2cc(NN)ncn2)CCS(=O)(=O)C1
InChIInChI=1S/C9H15N5O2S/c1-9(2-3-17(15,16)5-9)13-7-4-8(14-10)12-6-11-7/h4,6H,2-3,5,10H2,1H3,(H2,11,12,13,14)
InChIKeyDNDRCGRBVBWDTJ-UHFFFAOYSA-N
XLogP-0.25
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.25
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

5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 80903760
N-(2-ethylsulfonylethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 105789508
6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771551
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775396
6-hydrazinyl-N-(3-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775579
6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775586
N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775626
6-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775772
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 113875914
6-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 115416814
[6-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 13393629
6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 61853353

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine (CID 80902625) is 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine is CC1(Nc2cc(NN)ncn2)CCS(=O)(=O)C1.
What is the InChIKey of 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
The InChIKey is DNDRCGRBVBWDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-9(2-3-17(15,16)5-9)13-7-4-8(14-10)12-6-11-7/h4,6H,2-3,5,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80902625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).