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

C19H23N7O2S — CID 118914305

IUPACN-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc2c(N3CCOCC3)nc(-c3cnc(N)nc3C)nc2s1
InChIInChI=1S/C19H23N7O2S/c1-11-15(9-21-19(20)22-11)16-23-17(26-4-6-28-7-5-26)14-8-13(29-18(14)24-16)10-25(3)12(2)27/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22)
InChIKeyMCKUSXUVTLMDAO-UHFFFAOYSA-N
MW413.51 g/mol
LogP1.85
Rot. Bonds4

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

N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide (PubChem CID 118914305) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide
PubChem CID118914305
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC NameN-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc2c(N3CCOCC3)nc(-c3cnc(N)nc3C)nc2s1
InChIInChI=1S/C19H23N7O2S/c1-11-15(9-21-19(20)22-11)16-23-17(26-4-6-28-7-5-26)14-8-13(29-18(14)24-16)10-25(3)12(2)27/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22)
InChIKeyMCKUSXUVTLMDAO-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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Related Compounds

5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide
CID 69044924
(2R)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58234040
N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59829243
5-[6-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 24948546
(2S)-3-[4-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87670523
4-[2-(2-methylpyrimidin-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24948735
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-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine
CID 57384862
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
1-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58234093
4-[2-(2,4-dimethoxypyrimidin-5-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 70306461

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide (CID 118914305) is N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc2c(N3CCOCC3)nc(-c3cnc(N)nc3C)nc2s1.
What is the InChIKey of N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
The InChIKey is MCKUSXUVTLMDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-11-15(9-21-19(20)22-11)16-23-17(26-4-6-28-7-5-26)14-8-13(29-18(14)24-16)10-25(3)12(2)27/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22).
What are the key properties of N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide?
N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-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-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 118914305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).