5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C21H26N4OS — CID 2113126

IUPAC5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCc3ccccc3)c2c1C
InChIInChI=1S/C21H26N4OS/c1-15-16(2)27-21-19(15)20(22-9-8-17-6-4-3-5-7-17)23-18(24-21)14-25-10-12-26-13-11-25/h3-7H,8-14H2,1-2H3,(H,22,23,24)
InChIKeyPGEXRZOFWHUZSG-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.79
Rot. Bonds6

About 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2113126) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2113126
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCc3ccccc3)c2c1C
InChIInChI=1S/C21H26N4OS/c1-15-16(2)27-21-19(15)20(22-9-8-17-6-4-3-5-7-17)23-18(24-21)14-25-10-12-26-13-11-25/h3-7H,8-14H2,1-2H3,(H,22,23,24)
InChIKeyPGEXRZOFWHUZSG-UHFFFAOYSA-N
XLogP3.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2113126) is 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NCCc3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PGEXRZOFWHUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-15-16(2)27-21-19(15)20(22-9-8-17-6-4-3-5-7-17)23-18(24-21)14-25-10-12-26-13-11-25/h3-7H,8-14H2,1-2H3,(H,22,23,24).
What are the key properties of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 382.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2113126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).