2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H20N6S — CID 103334518

IUPAC2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(CC1CCCN1C)c1nc(NN)nc2sccc12
InChIInChI=1S/C13H20N6S/c1-18-6-3-4-9(18)8-19(2)11-10-5-7-20-12(10)16-13(15-11)17-14/h5,7,9H,3-4,6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyMZSLXACITPQZNI-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.51
Rot. Bonds4

About 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334518) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103334518
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(CC1CCCN1C)c1nc(NN)nc2sccc12
InChIInChI=1S/C13H20N6S/c1-18-6-3-4-9(18)8-19(2)11-10-5-7-20-12(10)16-13(15-11)17-14/h5,7,9H,3-4,6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyMZSLXACITPQZNI-UHFFFAOYSA-N
XLogP1.51
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103334518) is 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CN(CC1CCCN1C)c1nc(NN)nc2sccc12.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MZSLXACITPQZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-18-6-3-4-9(18)8-19(2)11-10-5-7-20-12(10)16-13(15-11)17-14/h5,7,9H,3-4,6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).