5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine

C23H25N7OS — CID 71811745

IUPAC5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCN(Cc1ccccc1)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H25N7OS/c1-29(13-16-5-3-2-4-6-16)14-18-15-32-21-19(17-11-25-22(24)26-12-17)27-23(28-20(18)21)30-7-9-31-10-8-30/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,26)
InChIKeyOSXASPJZZVXHDB-UHFFFAOYSA-N
MW447.57 g/mol
LogP3.20
Rot. Bonds6

About 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 71811745) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID71811745
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Name5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCN(Cc1ccccc1)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H25N7OS/c1-29(13-16-5-3-2-4-6-16)14-18-15-32-21-19(17-11-25-22(24)26-12-17)27-23(28-20(18)21)30-7-9-31-10-8-30/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,26)
InChIKeyOSXASPJZZVXHDB-UHFFFAOYSA-N
XLogP3.20
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 71811745) is 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine is CN(Cc1ccccc1)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12.
What is the InChIKey of 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is OSXASPJZZVXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-29(13-16-5-3-2-4-6-16)14-18-15-32-21-19(17-11-25-22(24)26-12-17)27-23(28-20(18)21)30-7-9-31-10-8-30/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,26).
What are the key properties of 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 447.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[benzyl(methyl)amino]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 71811745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).