[2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

C14H16N4OS — CID 83191670

IUPAC[2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCC1CC1c1ccc(-c2nc3c(c(NN)n2)CSC3)o1
InChIInChI=1S/C14H16N4OS/c1-7-4-8(7)11-2-3-12(19-11)14-16-10-6-20-5-9(10)13(17-14)18-15/h2-3,7-8H,4-6,15H2,1H3,(H,16,17,18)
InChIKeyBQUSBMPKEPBKRY-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.89
Rot. Bonds3

About [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

[2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83191670) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83191670
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCC1CC1c1ccc(-c2nc3c(c(NN)n2)CSC3)o1
InChIInChI=1S/C14H16N4OS/c1-7-4-8(7)11-2-3-12(19-11)14-16-10-6-20-5-9(10)13(17-14)18-15/h2-3,7-8H,4-6,15H2,1H3,(H,16,17,18)
InChIKeyBQUSBMPKEPBKRY-UHFFFAOYSA-N
XLogP2.89
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.89
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-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83191670) is [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is CC1CC1c1ccc(-c2nc3c(c(NN)n2)CSC3)o1.
What is the InChIKey of [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is BQUSBMPKEPBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-7-4-8(7)11-2-3-12(19-11)14-16-10-6-20-5-9(10)13(17-14)18-15/h2-3,7-8H,4-6,15H2,1H3,(H,16,17,18).
What are the key properties of [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 288.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-methylcyclopropyl)furan-2-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83191670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).