N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

C12H12N4OS — CID 145367834

IUPACN-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESNc1ccc(SNc2ncc3c(n2)COC3)cc1
InChIInChI=1S/C12H12N4OS/c13-9-1-3-10(4-2-9)18-16-12-14-5-8-6-17-7-11(8)15-12/h1-5H,6-7,13H2,(H,14,15,16)
InChIKeyRSYACSIKZLMGAL-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.21
Rot. Bonds3

About N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (PubChem CID 145367834) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
PubChem CID145367834
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESNc1ccc(SNc2ncc3c(n2)COC3)cc1
InChIInChI=1S/C12H12N4OS/c13-9-1-3-10(4-2-9)18-16-12-14-5-8-6-17-7-11(8)15-12/h1-5H,6-7,13H2,(H,14,15,16)
InChIKeyRSYACSIKZLMGAL-UHFFFAOYSA-N
XLogP2.21
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (CID 145367834) is N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is Nc1ccc(SNc2ncc3c(n2)COC3)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The InChIKey is RSYACSIKZLMGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-9-1-3-10(4-2-9)18-16-12-14-5-8-6-17-7-11(8)15-12/h1-5H,6-7,13H2,(H,14,15,16).
What are the key properties of N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine has a molecular weight of 260.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 145367834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).