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

C21H27N9O3 — CID 70688479

IUPAC6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cn3cc(C(=O)NCCN4CCOCC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
InChIKeyYRCSAIYINRCQAV-UHFFFAOYSA-N
MW453.51 g/mol
LogP-0.33
Rot. Bonds6

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

6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70688479) has the molecular formula C21H27N9O3 and a molecular weight of 453.51 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70688479
Molecular FormulaC21H27N9O3
Molecular Weight453.51 g/mol
Exact Mass453.22
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cn3cc(C(=O)NCCN4CCOCC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
InChIKeyYRCSAIYINRCQAV-UHFFFAOYSA-N
XLogP-0.33
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 70688479) is 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide is Nc1ncc(-c2cn3cc(C(=O)NCCN4CCOCC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YRCSAIYINRCQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70688479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).