methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C14H15N3O5 — CID 58101105

IUPACmethyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2cc(N3CCOCC3)ccn2c(=O)c1O
InChIInChI=1S/C14H15N3O5/c1-21-14(20)11-12(18)13(19)17-3-2-9(8-10(17)15-11)16-4-6-22-7-5-16/h2-3,8,18H,4-7H2,1H3
InChIKeyPFNFEQBEMMSECR-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.02
Rot. Bonds2

About methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101105) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101105
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Namemethyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2cc(N3CCOCC3)ccn2c(=O)c1O
InChIInChI=1S/C14H15N3O5/c1-21-14(20)11-12(18)13(19)17-3-2-9(8-10(17)15-11)16-4-6-22-7-5-16/h2-3,8,18H,4-7H2,1H3
InChIKeyPFNFEQBEMMSECR-UHFFFAOYSA-N
XLogP0.02
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 58101105) is methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2cc(N3CCOCC3)ccn2c(=O)c1O.
What is the InChIKey of methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is PFNFEQBEMMSECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-21-14(20)11-12(18)13(19)17-3-2-9(8-10(17)15-11)16-4-6-22-7-5-16/h2-3,8,18H,4-7H2,1H3.
What are the key properties of methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).