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

C13H19N5S — CID 112750664

IUPAC2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(NN)nc3ccsc23)CCCCC1
InChIInChI=1S/C13H19N5S/c1-13(6-3-2-4-7-13)17-11-10-9(5-8-19-10)15-12(16-11)18-14/h5,8H,2-4,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyYCQAGAFIIQPXGI-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.11
Rot. Bonds3

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

2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 112750664) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID112750664
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(NN)nc3ccsc23)CCCCC1
InChIInChI=1S/C13H19N5S/c1-13(6-3-2-4-7-13)17-11-10-9(5-8-19-10)15-12(16-11)18-14/h5,8H,2-4,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyYCQAGAFIIQPXGI-UHFFFAOYSA-N
XLogP3.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.11
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 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine (CID 112750664) is 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine is CC1(Nc2nc(NN)nc3ccsc23)CCCCC1.
What is the InChIKey of 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YCQAGAFIIQPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-13(6-3-2-4-7-13)17-11-10-9(5-8-19-10)15-12(16-11)18-14/h5,8H,2-4,6-7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 112750664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).