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

C14H15N3O3 — CID 818578

IUPAC9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12
InChIInChI=1S/C14H15N3O3/c1-10-3-2-4-17-12(10)15-13(11(9-18)14(17)19)16-5-7-20-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyOSOUUKBRQBNQAC-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.65
Rot. Bonds2

About 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 818578) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID818578
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12
InChIInChI=1S/C14H15N3O3/c1-10-3-2-4-17-12(10)15-13(11(9-18)14(17)19)16-5-7-20-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyOSOUUKBRQBNQAC-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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Related Compounds

2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one
CID 269395
9-Methyl-4-oxo-2-thiomorpholino-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 711723
7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 876330
2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772166
2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2850732
2-(4-Methyl-piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 24746826
9-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 723067
2-(2,6-dimethylmorpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2918628
9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 890556
4-Oxo-2-piperidin-1-yl-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 794784
ethyl 4-(3-formyl-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
CID 1856407
3-[(E)-(hydroxyimino)methyl]-9-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 21178538

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 818578) is 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12.
What is the InChIKey of 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is OSOUUKBRQBNQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-3-2-4-17-12(10)15-13(11(9-18)14(17)19)16-5-7-20-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
9-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 9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 818578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).