5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

C21H29N9O3S — CID 70689025

IUPAC5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESC[C@@H]1CN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CCN1S(C)(=O)=O
InChIInChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m1/s1
InChIKeyAQWQIQDUUYUMGY-OAHLLOKOSA-N
MW487.59 g/mol
LogP0.07
Rot. Bonds5

About 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine (PubChem CID 70689025) has the molecular formula C21H29N9O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
PubChem CID70689025
Molecular FormulaC21H29N9O3S
Molecular Weight487.59 g/mol
Exact Mass487.21
IUPAC Name5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESC[C@@H]1CN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CCN1S(C)(=O)=O
InChIInChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m1/s1
InChIKeyAQWQIQDUUYUMGY-OAHLLOKOSA-N
XLogP0.07
TPSA135.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine with MolForge

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Related Compounds

Etp-46321
CID 46927938
5-[2-[(4-Methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 53353847
((S)-1-methanesulfonyl-piperidin-3-yl)-[2-morpholin-4-yl-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-pyrimidin-4-yl]-amine
CID 58177229
5-[3-Bromo-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
CID 70689027
Ethyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate
CID 52917887
5-[5-Chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 53302364
5-(9-Morpholin-4-yl-1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)pyrimidin-2-amine
CID 68387761
5-[3-Methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
CID 69489467
5-[5-Chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
CID 70684794
4-[6-(2-Methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70686955
5-[2-[(8-Methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
CID 70686956
5-[2-[(5-Methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
CID 70686957

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine (CID 70689025) is 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine is C[C@@H]1CN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CCN1S(C)(=O)=O.
What is the InChIKey of 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The InChIKey is AQWQIQDUUYUMGY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m1/s1.
What are the key properties of 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine has a molecular weight of 487.59 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 70689025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).