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

C11H19N5O2S — CID 80656296

IUPACN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCc1cc(NN)nc(CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H19N5O2S/c1-8-5-10(15-12)14-11(13-8)6-16(2)9-3-4-19(17,18)7-9/h5,9H,3-4,6-7,12H2,1-2H3,(H,13,14,15)
InChIKeyJHPDZOKSWVIQOW-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.31
Rot. Bonds4

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

N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 80656296) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID80656296
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCc1cc(NN)nc(CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H19N5O2S/c1-8-5-10(15-12)14-11(13-8)6-16(2)9-3-4-19(17,18)7-9/h5,9H,3-4,6-7,12H2,1-2H3,(H,13,14,15)
InChIKeyJHPDZOKSWVIQOW-UHFFFAOYSA-N
XLogP-0.31
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80964070
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
N-[(5-amino-2-methylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 82134181
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80932792
(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 99937969
N-[(3-bromo-4-methoxyphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 60669797
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47145538
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylpyrimidin-2-amine
CID 77085463
4-N-[3-(dimethylamino)propyl]-2-N-(1,1-dioxothiolan-3-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112913456

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 80656296) is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is Cc1cc(NN)nc(CN(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is JHPDZOKSWVIQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-8-5-10(15-12)14-11(13-8)6-16(2)9-3-4-19(17,18)7-9/h5,9H,3-4,6-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 285.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 80656296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).