N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

C17H19N3OS — CID 16667011

IUPACN-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C17H19N3OS/c1-10-11(2)22-17-15(10)16(18-12(3)19-17)20(4)13-6-8-14(21-5)9-7-13/h6-9H,1-5H3
InChIKeyZIKNQIANYVFMAK-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.39
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16667011) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16667011
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C17H19N3OS/c1-10-11(2)22-17-15(10)16(18-12(3)19-17)20(4)13-6-8-14(21-5)9-7-13/h6-9H,1-5H3
InChIKeyZIKNQIANYVFMAK-UHFFFAOYSA-N
XLogP4.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine (CID 16667011) is N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIKNQIANYVFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-10-11(2)22-17-15(10)16(18-12(3)19-17)20(4)13-6-8-14(21-5)9-7-13/h6-9H,1-5H3.
What are the key properties of N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16667011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).