N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide

C24H32N8O3S — CID 155513047

IUPACN-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C24H32N8O3S/c1-30(20(33)15-34-2)17-4-3-5-31(13-17)14-18-10-19-21(36-18)23(32-6-8-35-9-7-32)29-22(28-19)16-11-26-24(25)27-12-16/h10-12,17H,3-9,13-15H2,1-2H3,(H2,25,26,27)
InChIKeyXMRUFCAZQWNBGY-UHFFFAOYSA-N
MW512.64 g/mol
LogP1.64
Rot. Bonds7

About N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide

N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide (PubChem CID 155513047) has the molecular formula C24H32N8O3S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide
PubChem CID155513047
Molecular FormulaC24H32N8O3S
Molecular Weight512.64 g/mol
Exact Mass512.23
IUPAC NameN-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C24H32N8O3S/c1-30(20(33)15-34-2)17-4-3-5-31(13-17)14-18-10-19-21(36-18)23(32-6-8-35-9-7-32)29-22(28-19)16-11-26-24(25)27-12-16/h10-12,17H,3-9,13-15H2,1-2H3,(H2,25,26,27)
InChIKeyXMRUFCAZQWNBGY-UHFFFAOYSA-N
XLogP1.64
TPSA122.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide with MolForge

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Related Compounds

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
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
(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
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
3-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]thiolan-2-one
CID 58491757
(E)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]hept-5-ene-1,4-dione
CID 58441452
3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11690718
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-1,3-dimethylurea
CID 155523124
5-[4-morpholin-4-yl-6-[[4-(1,3-thiazol-2-ylsulfanyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690081

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide (CID 155513047) is N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide?
The InChIKey is XMRUFCAZQWNBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3S/c1-30(20(33)15-34-2)17-4-3-5-31(13-17)14-18-10-19-21(36-18)23(32-6-8-35-9-7-32)29-22(28-19)16-11-26-24(25)27-12-16/h10-12,17H,3-9,13-15H2,1-2H3,(H2,25,26,27).
What are the key properties of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide?
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide has a molecular weight of 512.64 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 155513047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).