N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C13H11N3OS — CID 3314351

IUPACN-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Nc1ncnc2sccc12
InChIInChI=1S/C13H11N3OS/c1-17-11-5-3-2-4-10(11)16-12-9-6-7-18-13(9)15-8-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyHVRFEOGQRMEPOR-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.44
Rot. Bonds3

About N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 3314351) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID3314351
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Nc1ncnc2sccc12
InChIInChI=1S/C13H11N3OS/c1-17-11-5-3-2-4-10(11)16-12-9-6-7-18-13(9)15-8-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyHVRFEOGQRMEPOR-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 3314351) is N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1Nc1ncnc2sccc12.
What is the InChIKey of N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HVRFEOGQRMEPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-11-5-3-2-4-10(11)16-12-9-6-7-18-13(9)15-8-14-12/h2-8H,1H3,(H,14,15,16).
What are the key properties of N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3314351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).