4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one

C14H17N3O4 — CID 58001766

IUPAC4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(C3COC(C)(C)OC3)c2n1
InChIInChI=1S/C14H17N3O4/c1-14(2)20-7-9(8-21-14)17-12(18)6-15-10-4-5-11(19-3)16-13(10)17/h4-6,9H,7-8H2,1-3H3
InChIKeyZDXNPYQHRJEQCB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.12
Rot. Bonds2

About 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one

4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 58001766) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID58001766
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(C3COC(C)(C)OC3)c2n1
InChIInChI=1S/C14H17N3O4/c1-14(2)20-7-9(8-21-14)17-12(18)6-15-10-4-5-11(19-3)16-13(10)17/h4-6,9H,7-8H2,1-3H3
InChIKeyZDXNPYQHRJEQCB-UHFFFAOYSA-N
XLogP1.12
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 58001766) is 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(C3COC(C)(C)OC3)c2n1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZDXNPYQHRJEQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2)20-7-9(8-21-14)17-12(18)6-15-10-4-5-11(19-3)16-13(10)17/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 291.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 58001766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).