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

C14H13N3OS — CID 71193819

IUPACN-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(C)nc3ccsc23)cc1
InChIInChI=1S/C14H13N3OS/c1-9-15-12-7-8-19-13(12)14(16-9)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyXBHKKUWSRRRYTJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.75
Rot. Bonds3

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

N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 71193819) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID71193819
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(C)nc3ccsc23)cc1
InChIInChI=1S/C14H13N3OS/c1-9-15-12-7-8-19-13(12)14(16-9)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyXBHKKUWSRRRYTJ-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine (CID 71193819) is N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine is COc1ccc(Nc2nc(C)nc3ccsc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XBHKKUWSRRRYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-15-12-7-8-19-13(12)14(16-9)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 71193819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).