N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C11H15N5S — CID 103335783

IUPACN-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1nc(NN)nc2sccc12)C1CCC1
InChIInChI=1S/C11H15N5S/c1-16(7-3-2-4-7)9-8-5-6-17-10(8)14-11(13-9)15-12/h5-7H,2-4,12H2,1H3,(H,13,14,15)
InChIKeyIAXQKMBEBWFKOR-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.97
Rot. Bonds3

About N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103335783) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103335783
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1nc(NN)nc2sccc12)C1CCC1
InChIInChI=1S/C11H15N5S/c1-16(7-3-2-4-7)9-8-5-6-17-10(8)14-11(13-9)15-12/h5-7H,2-4,12H2,1H3,(H,13,14,15)
InChIKeyIAXQKMBEBWFKOR-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 103335783) is N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(c1nc(NN)nc2sccc12)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IAXQKMBEBWFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-16(7-3-2-4-7)9-8-5-6-17-10(8)14-11(13-9)15-12/h5-7H,2-4,12H2,1H3,(H,13,14,15).
What are the key properties of N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103335783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).