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

C20H24N8O3 — CID 56966983

IUPAC6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cn3cc(C(=O)NC4CCOCC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
InChIKeyBTFDKNWRSWJHKV-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.51
Rot. Bonds4

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

6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56966983) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56966983
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cn3cc(C(=O)NC4CCOCC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
InChIKeyBTFDKNWRSWJHKV-UHFFFAOYSA-N
XLogP0.51
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 56966983) is 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide is Nc1ncc(-c2cn3cc(C(=O)NC4CCOCC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BTFDKNWRSWJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 0.51, 4 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)-8-morpholin-4-yl-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56966983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).