4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline

C14H13N3OS — CID 102686745

IUPAC4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
SMILESCc1csc2c(OCc3ccc(N)cc3)ncnc12
InChIInChI=1S/C14H13N3OS/c1-9-7-19-13-12(9)16-8-17-14(13)18-6-10-2-4-11(15)5-3-10/h2-5,7-8H,6,15H2,1H3
InChIKeyUPXDFOAOWINEMU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.16
Rot. Bonds3

About 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline

4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline (PubChem CID 102686745) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline.

Molecular Properties

Compound Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
PubChem CID102686745
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
SMILESCc1csc2c(OCc3ccc(N)cc3)ncnc12
InChIInChI=1S/C14H13N3OS/c1-9-7-19-13-12(9)16-8-17-14(13)18-6-10-2-4-11(15)5-3-10/h2-5,7-8H,6,15H2,1H3
InChIKeyUPXDFOAOWINEMU-UHFFFAOYSA-N
XLogP3.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline?
The IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline (CID 102686745) is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline.
What is the SMILES notation for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline?
The canonical SMILES for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline is Cc1csc2c(OCc3ccc(N)cc3)ncnc12.
What is the InChIKey of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline?
The InChIKey is UPXDFOAOWINEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-19-13-12(9)16-8-17-14(13)18-6-10-2-4-11(15)5-3-10/h2-5,7-8H,6,15H2,1H3.
What are the key properties of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline?
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline has a molecular weight of 271.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline is sourced from PubChem (CID 102686745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).