N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine

C12H21N5O2S — CID 80899134

IUPACN-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N5O2S/c1-3-4-10-11(16-13)14-8-15-12(10)17(2)9-5-6-20(18,19)7-9/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyRLYAFAXVWOKNBL-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.34
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80899134) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80899134
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N5O2S/c1-3-4-10-11(16-13)14-8-15-12(10)17(2)9-5-6-20(18,19)7-9/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyRLYAFAXVWOKNBL-UHFFFAOYSA-N
XLogP0.34
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.34
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

6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80907367
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
N-(1,1-dioxothian-4-yl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80898843
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine (CID 80899134) is N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is RLYAFAXVWOKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-4-10-11(16-13)14-8-15-12(10)17(2)9-5-6-20(18,19)7-9/h8-9H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80899134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).