2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine

C12H19N5S — CID 103335234

IUPAC2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C12H19N5S/c1-3-4-5-6-14-10-9-7-8(2)18-11(9)16-12(15-10)17-13/h7H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyYUTOOVYQQPEWMS-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.89
Rot. Bonds6

About 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103335234) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103335234
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C12H19N5S/c1-3-4-5-6-14-10-9-7-8(2)18-11(9)16-12(15-10)17-13/h7H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyYUTOOVYQQPEWMS-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine (CID 103335234) is 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine is CCCCCNc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YUTOOVYQQPEWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-3-4-5-6-14-10-9-7-8(2)18-11(9)16-12(15-10)17-13/h7H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103335234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).