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

C24H24N4OS — CID 2481763

IUPACN-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H24N4OS/c1-3-7-18(8-4-1)15-25-23-22-20(19-9-5-2-6-10-19)17-30-24(22)27-21(26-23)16-28-11-13-29-14-12-28/h1-10,17H,11-16H2,(H,25,26,27)
InChIKeyBMOPRBOSAXRYIX-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.80
Rot. Bonds6

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

N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2481763) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2481763
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H24N4OS/c1-3-7-18(8-4-1)15-25-23-22-20(19-9-5-2-6-10-19)17-30-24(22)27-21(26-23)16-28-11-13-29-14-12-28/h1-10,17H,11-16H2,(H,25,26,27)
InChIKeyBMOPRBOSAXRYIX-UHFFFAOYSA-N
XLogP4.80
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2481763) is N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BMOPRBOSAXRYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-3-7-18(8-4-1)15-25-23-22-20(19-9-5-2-6-10-19)17-30-24(22)27-21(26-23)16-28-11-13-29-14-12-28/h1-10,17H,11-16H2,(H,25,26,27).
What are the key properties of N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 416.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).