N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H14FN5S — CID 103332546

IUPACN-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1nc(NN)nc2sccc12
InChIInChI=1S/C14H14FN5S/c1-20(8-9-2-4-10(15)5-3-9)12-11-6-7-21-13(11)18-14(17-12)19-16/h2-7H,8,16H2,1H3,(H,17,18,19)
InChIKeyQJKIMOKZQYTDAB-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103332546) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103332546
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1nc(NN)nc2sccc12
InChIInChI=1S/C14H14FN5S/c1-20(8-9-2-4-10(15)5-3-9)12-11-6-7-21-13(11)18-14(17-12)19-16/h2-7H,8,16H2,1H3,(H,17,18,19)
InChIKeyQJKIMOKZQYTDAB-UHFFFAOYSA-N
XLogP2.75
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.75
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-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 103332546) is N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(Cc1ccc(F)cc1)c1nc(NN)nc2sccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QJKIMOKZQYTDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-20(8-9-2-4-10(15)5-3-9)12-11-6-7-21-13(11)18-14(17-12)19-16/h2-7H,8,16H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103332546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).