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

C18H23N7O3S2 — CID 59829265

IUPACN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H23N7O3S2/c1-3-30(26,27)24(2)11-13-8-14-15(29-13)17(25-4-6-28-7-5-25)23-16(22-14)12-9-20-18(19)21-10-12/h8-10H,3-7,11H2,1-2H3,(H2,19,20,21)
InChIKeyFJMQLEGRMDWSFV-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.35
Rot. Bonds6

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

N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide (PubChem CID 59829265) has the molecular formula C18H23N7O3S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
PubChem CID59829265
Molecular FormulaC18H23N7O3S2
Molecular Weight449.56 g/mol
Exact Mass449.13
IUPAC NameN-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H23N7O3S2/c1-3-30(26,27)24(2)11-13-8-14-15(29-13)17(25-4-6-28-7-5-25)23-16(22-14)12-9-20-18(19)21-10-12/h8-10H,3-7,11H2,1-2H3,(H2,19,20,21)
InChIKeyFJMQLEGRMDWSFV-UHFFFAOYSA-N
XLogP1.35
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234015
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide
CID 155516604
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
5-[4-morpholin-4-yl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234082
5-[6-(3-methoxyprop-1-enyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 69045124
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol
CID 143694962

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-methylethanesulfonamide?
The IUPAC name of N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide (CID 59829265) is N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide is CCS(=O)(=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-methylethanesulfonamide?
The InChIKey is FJMQLEGRMDWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3S2/c1-3-30(26,27)24(2)11-13-8-14-15(29-13)17(25-4-6-28-7-5-25)23-16(22-14)12-9-20-18(19)21-10-12/h8-10H,3-7,11H2,1-2H3,(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-methylethanesulfonamide?
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide has a molecular weight of 449.56 g/mol, XLogP of 1.35, 6 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-methylethanesulfonamide is sourced from PubChem (CID 59829265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).