2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

C11H19N7O2S — CID 106327651

IUPAC2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)nc(NCCN2CCSCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N7O2S/c1-8-9(18(19)20)10(15-11(14-8)16-12)13-2-3-17-4-6-21-7-5-17/h2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyDDAZQQVJJDTIBS-UHFFFAOYSA-N
MW313.39 g/mol
LogP0.44
Rot. Bonds6

About 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 106327651) has the molecular formula C11H19N7O2S and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID106327651
Molecular FormulaC11H19N7O2S
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC Name2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)nc(NCCN2CCSCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N7O2S/c1-8-9(18(19)20)10(15-11(14-8)16-12)13-2-3-17-4-6-21-7-5-17/h2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyDDAZQQVJJDTIBS-UHFFFAOYSA-N
XLogP0.44
TPSA122.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 106327651) is 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is Cc1nc(NN)nc(NCCN2CCSCC2)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is DDAZQQVJJDTIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2S/c1-8-9(18(19)20)10(15-11(14-8)16-12)13-2-3-17-4-6-21-7-5-17/h2-7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 313.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 106327651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).