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

C17H21N7O3S2 — CID 46886360

IUPACN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)S(C)(=O)=O
InChIInChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-14(28-12)16(24-3-5-27-6-4-24)22-15(21-13)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20)
InChIKeyJITYTVFJRHFBSO-UHFFFAOYSA-N
MW435.54 g/mol
LogP0.96
Rot. Bonds5

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

N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 46886360) has the molecular formula C17H21N7O3S2 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide
PubChem CID46886360
Molecular FormulaC17H21N7O3S2
Molecular Weight435.54 g/mol
Exact Mass435.11
IUPAC NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)S(C)(=O)=O
InChIInChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-14(28-12)16(24-3-5-27-6-4-24)22-15(21-13)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20)
InChIKeyJITYTVFJRHFBSO-UHFFFAOYSA-N
XLogP0.96
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-methylmethanesulfonamide?
The IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide (CID 46886360) is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide is CN(Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)S(C)(=O)=O.
What is the InChIKey of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is JITYTVFJRHFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-14(28-12)16(24-3-5-27-6-4-24)22-15(21-13)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide?
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 435.54 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 10 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-methylmethanesulfonamide is sourced from PubChem (CID 46886360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).