N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H14FN5S — CID 103334873

IUPACN-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(F)ccc3C)nc(NN)nc2s1
InChIInChI=1S/C14H14FN5S/c1-7-3-4-9(15)6-11(7)17-12-10-5-8(2)21-13(10)19-14(18-12)20-16/h3-6H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyHTYBTOQQNUVRNK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.48
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334873) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103334873
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(F)ccc3C)nc(NN)nc2s1
InChIInChI=1S/C14H14FN5S/c1-7-3-4-9(15)6-11(7)17-12-10-5-8(2)21-13(10)19-14(18-12)20-16/h3-6H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyHTYBTOQQNUVRNK-UHFFFAOYSA-N
XLogP3.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.48
H-Bond Donors ≤ 53
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-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103334873) is N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cc(F)ccc3C)nc(NN)nc2s1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HTYBTOQQNUVRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-7-3-4-9(15)6-11(7)17-12-10-5-8(2)21-13(10)19-14(18-12)20-16/h3-6H,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).