methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate

C20H23N7O4 — CID 45257067

IUPACmethyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C20H23N7O4/c1-29-19(28)14-12-15(25-4-8-30-9-5-25)16-17(22-14)18(26-6-10-31-11-7-26)24-20(23-16)27-3-2-21-13-27/h2-3,12-13H,4-11H2,1H3
InChIKeyZICPYXXWXZUHDB-UHFFFAOYSA-N
MW425.45 g/mol
LogP0.67
Rot. Bonds4

About methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate

methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate (PubChem CID 45257067) has the molecular formula C20H23N7O4 and a molecular weight of 425.45 g/mol. Its IUPAC name is methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
PubChem CID45257067
Molecular FormulaC20H23N7O4
Molecular Weight425.45 g/mol
Exact Mass425.18
IUPAC Namemethyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C20H23N7O4/c1-29-19(28)14-12-15(25-4-8-30-9-5-25)16-17(22-14)18(26-6-10-31-11-7-26)24-20(23-16)27-3-2-21-13-27/h2-3,12-13H,4-11H2,1H3
InChIKeyZICPYXXWXZUHDB-UHFFFAOYSA-N
XLogP0.67
TPSA107.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate (CID 45257067) is methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1cc(N2CCOCC2)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1.
What is the InChIKey of methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is ZICPYXXWXZUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O4/c1-29-19(28)14-12-15(25-4-8-30-9-5-25)16-17(22-14)18(26-6-10-31-11-7-26)24-20(23-16)27-3-2-21-13-27/h2-3,12-13H,4-11H2,1H3.
What are the key properties of methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 425.45 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imidazol-1-yl-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 45257067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).