N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine

C11H19N5O2S — CID 81046988

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C11H19N5O2S/c1-7-10(14-8(2)15-11(7)16-12)13-6-9-4-3-5-19(9,17)18/h9H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyYFMNXRZMFTYVKV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.37
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 81046988) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
PubChem CID81046988
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C11H19N5O2S/c1-7-10(14-8(2)15-11(7)16-12)13-6-9-4-3-5-19(9,17)18/h9H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyYFMNXRZMFTYVKV-UHFFFAOYSA-N
XLogP0.37
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.37
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'}

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 81042385
4-N-[(1,1-dioxothiolan-2-yl)methyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 81047206
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026122
N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 81046261
2-[(1,1-dioxothiolan-2-yl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 81040091
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80822882
N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 81047067
N-(3-cyclopentylpropyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 114137258
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80822733
5-bromo-4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 81046257
5-bromo-2-N-[(1,1-dioxothiolan-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91661721
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (CID 81046988) is N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(NN)c(C)c(NCC2CCCS2(=O)=O)n1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is YFMNXRZMFTYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-7-10(14-8(2)15-11(7)16-12)13-6-9-4-3-5-19(9,17)18/h9H,3-6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 81046988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).