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

C21H26N8O3 — CID 46946049

IUPAC6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cn3cc(C(=O)NC4CCC(O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)
InChIKeyAVMVQHVGIPSGDM-UHFFFAOYSA-N
MW438.49 g/mol
LogP0.64
Rot. Bonds4

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

6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 46946049) has the molecular formula C21H26N8O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID46946049
Molecular FormulaC21H26N8O3
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cn3cc(C(=O)NC4CCC(O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)
InChIKeyAVMVQHVGIPSGDM-UHFFFAOYSA-N
XLogP0.64
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 46946049) is 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is Nc1ncc(-c2cn3cc(C(=O)NC4CCC(O)CC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is AVMVQHVGIPSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-(4-hydroxycyclohexyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46946049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).