N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide

C19H23N7O2S — CID 25109494

IUPACN-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2c1C
InChIInChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22)
InChIKeyCFPCFVBFTMZGKT-UHFFFAOYSA-N
MW413.51 g/mol
LogP1.85
Rot. Bonds4

About N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide

N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide (PubChem CID 25109494) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide
PubChem CID25109494
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC NameN-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2c1C
InChIInChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22)
InChIKeyCFPCFVBFTMZGKT-UHFFFAOYSA-N
XLogP1.85
TPSA110.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 51.85
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)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide (CID 25109494) is N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-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)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2c1C.
What is the InChIKey of N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The InChIKey is CFPCFVBFTMZGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22).
What are the key properties of N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
N-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide has a molecular weight of 413.51 g/mol, XLogP of 1.85, 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)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 25109494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).