6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C19H24N8O3 — CID 70694723

IUPAC6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn2c1C
InChIInChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
InChIKeySACVGFNKAAPQIB-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.29
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70694723) has the molecular formula C19H24N8O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70694723
Molecular FormulaC19H24N8O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn2c1C
InChIInChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
InChIKeySACVGFNKAAPQIB-UHFFFAOYSA-N
XLogP0.29
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70694723) is 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is COCCNC(=O)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn2c1C.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SACVGFNKAAPQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70694723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).