6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde

C13H19N3O2 — CID 79657111

IUPAC6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
SMILESCCCN1CCOC(c2nc(C)cc(C=O)n2)C1
InChIInChI=1S/C13H19N3O2/c1-3-4-16-5-6-18-12(8-16)13-14-10(2)7-11(9-17)15-13/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGDMITFQUROCYAZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.38
Rot. Bonds4

About 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde

6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 79657111) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
PubChem CID79657111
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
SMILESCCCN1CCOC(c2nc(C)cc(C=O)n2)C1
InChIInChI=1S/C13H19N3O2/c1-3-4-16-5-6-18-12(8-16)13-14-10(2)7-11(9-17)15-13/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGDMITFQUROCYAZ-UHFFFAOYSA-N
XLogP1.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657800
N-[[6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79664665
6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
CID 65328561
5-bromo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657186
2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347
[2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 79669347
2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669673
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
CID 79657119
[6-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-yl]hydrazine
CID 79657417
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657802
N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657564

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde (CID 79657111) is 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde is CCCN1CCOC(c2nc(C)cc(C=O)n2)C1.
What is the InChIKey of 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is GDMITFQUROCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-4-16-5-6-18-12(8-16)13-14-10(2)7-11(9-17)15-13/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde?
6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 79657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).