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

C20H27N9O2 — CID 70694721

IUPAC6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
InChIKeySFSPGHQPOKAPPP-UHFFFAOYSA-N
MW425.50 g/mol
LogP0.29
Rot. Bonds7

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

6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70694721) has the molecular formula C20H27N9O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70694721
Molecular FormulaC20H27N9O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
InChIKeySFSPGHQPOKAPPP-UHFFFAOYSA-N
XLogP0.29
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
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-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70694721) is 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SFSPGHQPOKAPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 0.29, 7 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-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70694721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).