2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

C21H23N11O3 — CID 71466706

IUPAC2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(Cc1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C21H23N11O3/c1-30(21-25-8-14(9-26-21)19(33)29-34)10-15-11-32-12-16(13-6-23-20(22)24-7-13)28-18(17(32)27-15)31-2-4-35-5-3-31/h6-9,11-12,34H,2-5,10H2,1H3,(H,29,33)(H2,22,23,24)
InChIKeyKGQYLVCXZMQGAW-UHFFFAOYSA-N
MW477.49 g/mol
LogP0.15
Rot. Bonds6

About 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 71466706) has the molecular formula C21H23N11O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID71466706
Molecular FormulaC21H23N11O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC Name2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(Cc1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C21H23N11O3/c1-30(21-25-8-14(9-26-21)19(33)29-34)10-15-11-32-12-16(13-6-23-20(22)24-7-13)28-18(17(32)27-15)31-2-4-35-5-3-31/h6-9,11-12,34H,2-5,10H2,1H3,(H,29,33)(H2,22,23,24)
InChIKeyKGQYLVCXZMQGAW-UHFFFAOYSA-N
XLogP0.15
TPSA172.81 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]benzamide
CID 175883788
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067946
6-(2-aminopyrimidin-5-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70694722
5-(2-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067938
ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 90067991
N-hydroxy-2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648343
2-[[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648342
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648357
2-[[2-(4-fluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 46841804
ethane;N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 145172448
N-hydroxy-2-[methyl-[[4-morpholin-4-yl-2-[4-(3-oxobutyl)phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxamide
CID 147081157
2-[[2-(6-ethoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 86682171

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 71466706) is 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is CN(Cc1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1)c1ncc(C(=O)NO)cn1.
What is the InChIKey of 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is KGQYLVCXZMQGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N11O3/c1-30(21-25-8-14(9-26-21)19(33)29-34)10-15-11-32-12-16(13-6-23-20(22)24-7-13)28-18(17(32)27-15)31-2-4-35-5-3-31/h6-9,11-12,34H,2-5,10H2,1H3,(H,29,33)(H2,22,23,24).
What are the key properties of 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 71466706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).