N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine

C21H19N3OS — CID 4858482

IUPACN-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C21H19N3OS/c1-14-23-20(22-12-15-8-10-17(25-2)11-9-15)19-18(13-26-21(19)24-14)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,22,23,24)
InChIKeyCANUMCHUDHWXGW-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.29
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4858482) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4858482
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C21H19N3OS/c1-14-23-20(22-12-15-8-10-17(25-2)11-9-15)19-18(13-26-21(19)24-14)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,22,23,24)
InChIKeyCANUMCHUDHWXGW-UHFFFAOYSA-N
XLogP5.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 4858482) is N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(C)nc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CANUMCHUDHWXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14-23-20(22-12-15-8-10-17(25-2)11-9-15)19-18(13-26-21(19)24-14)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4858482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).