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

C25H26N4OS — CID 2466337

IUPACN-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C25H26N4OS/c1-28(16-19-8-4-2-5-9-19)24-23-21(20-10-6-3-7-11-20)18-31-25(23)27-22(26-24)17-29-12-14-30-15-13-29/h2-11,18H,12-17H2,1H3
InChIKeyTWVQIBNPQSGGNG-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.83
Rot. Bonds6

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

N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2466337) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2466337
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC NameN-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C25H26N4OS/c1-28(16-19-8-4-2-5-9-19)24-23-21(20-10-6-3-7-11-20)18-31-25(23)27-22(26-24)17-29-12-14-30-15-13-29/h2-11,18H,12-17H2,1H3
InChIKeyTWVQIBNPQSGGNG-UHFFFAOYSA-N
XLogP4.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2466337) is N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(Cc1ccccc1)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TWVQIBNPQSGGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-28(16-19-8-4-2-5-9-19)24-23-21(20-10-6-3-7-11-20)18-31-25(23)27-22(26-24)17-29-12-14-30-15-13-29/h2-11,18H,12-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 430.58 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2466337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).