[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

C17H22N6O3 — CID 133137277

IUPAC[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CCn3cc(C(=O)N4CCOCC4)nc3C2C)ncn1
InChIInChI=1S/C17H22N6O3/c1-12-16-20-13(17(24)21-5-7-26-8-6-21)10-22(16)3-4-23(12)14-9-15(25-2)19-11-18-14/h9-12H,3-8H2,1-2H3
InChIKeyUJOKVBLQPZYDGF-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.74
Rot. Bonds3

About [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 133137277) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID133137277
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CCn3cc(C(=O)N4CCOCC4)nc3C2C)ncn1
InChIInChI=1S/C17H22N6O3/c1-12-16-20-13(17(24)21-5-7-26-8-6-21)10-22(16)3-4-23(12)14-9-15(25-2)19-11-18-14/h9-12H,3-8H2,1-2H3
InChIKeyUJOKVBLQPZYDGF-UHFFFAOYSA-N
XLogP0.74
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 133137277) is [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is COc1cc(N2CCn3cc(C(=O)N4CCOCC4)nc3C2C)ncn1.
What is the InChIKey of [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is UJOKVBLQPZYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-16-20-13(17(24)21-5-7-26-8-6-21)10-22(16)3-4-23(12)14-9-15(25-2)19-11-18-14/h9-12H,3-8H2,1-2H3.
What are the key properties of [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 358.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133137277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).