N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide

C18H21N7O2S — CID 46886361

IUPACN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21)
InChIKeyBQIFXGYWHHKPCK-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.55
Rot. Bonds4

About N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide

N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide (PubChem CID 46886361) has the molecular formula C18H21N7O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide
PubChem CID46886361
Molecular FormulaC18H21N7O2S
Molecular Weight399.48 g/mol
Exact Mass399.15
IUPAC NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21)
InChIKeyBQIFXGYWHHKPCK-UHFFFAOYSA-N
XLogP1.55
TPSA110.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide (CID 46886361) is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1.
What is the InChIKey of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The InChIKey is BQIFXGYWHHKPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21).
What are the key properties of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide has a molecular weight of 399.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 46886361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).