N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C10H17N5O2S — CID 80898941

IUPACN-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17N5O2S/c1-7-6-12-10(15-11)14-9(7)13-8-2-4-18(16,17)5-3-8/h6,8H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyLZKPZWFVCWGJKV-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.06
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80898941) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80898941
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17N5O2S/c1-7-6-12-10(15-11)14-9(7)13-8-2-4-18(16,17)5-3-8/h6,8H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyLZKPZWFVCWGJKV-UHFFFAOYSA-N
XLogP0.06
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.06
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-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80789758
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250
2-hydrazinyl-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 80922901
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-2,4-diamine
CID 80789953
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80924818
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
N-(1,1-dioxothian-4-yl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80898843
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
2-hydrazinyl-5-methyl-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 80904000

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80898941) is N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cnc(NN)nc1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is LZKPZWFVCWGJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-7-6-12-10(15-11)14-9(7)13-8-2-4-18(16,17)5-3-8/h6,8H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80898941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).