7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C14H15N3O3 — CID 876330

IUPAC7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1ccc2nc(N3CCOCC3)c(C=O)c(=O)n2c1
InChIInChI=1S/C14H15N3O3/c1-10-2-3-12-15-13(16-4-6-20-7-5-16)11(9-18)14(19)17(12)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyFEWCVLOMZJNYMB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.65
Rot. Bonds2

About 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 876330) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID876330
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1ccc2nc(N3CCOCC3)c(C=O)c(=O)n2c1
InChIInChI=1S/C14H15N3O3/c1-10-2-3-12-15-13(16-4-6-20-7-5-16)11(9-18)14(19)17(12)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyFEWCVLOMZJNYMB-UHFFFAOYSA-N
XLogP0.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 876330) is 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1ccc2nc(N3CCOCC3)c(C=O)c(=O)n2c1.
What is the InChIKey of 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is FEWCVLOMZJNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-2-3-12-15-13(16-4-6-20-7-5-16)11(9-18)14(19)17(12)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 273.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 876330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).