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

C15H17N5S — CID 103332540

IUPAC2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1CN(C)c1nc(NN)nc2sccc12
InChIInChI=1S/C15H17N5S/c1-10-5-3-4-6-11(10)9-20(2)13-12-7-8-21-14(12)18-15(17-13)19-16/h3-8H,9,16H2,1-2H3,(H,17,18,19)
InChIKeyQPPFFLURDLPSJX-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.92
Rot. Bonds4

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

2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103332540) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103332540
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1CN(C)c1nc(NN)nc2sccc12
InChIInChI=1S/C15H17N5S/c1-10-5-3-4-6-11(10)9-20(2)13-12-7-8-21-14(12)18-15(17-13)19-16/h3-8H,9,16H2,1-2H3,(H,17,18,19)
InChIKeyQPPFFLURDLPSJX-UHFFFAOYSA-N
XLogP2.92
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.92
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 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103332540) is 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccccc1CN(C)c1nc(NN)nc2sccc12.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QPPFFLURDLPSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-5-3-4-6-11(10)9-20(2)13-12-7-8-21-14(12)18-15(17-13)19-16/h3-8H,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103332540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).