4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde

C12H16ClN3O2 — CID 80732462

IUPAC4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
SMILESCCC1COCCN1c1nc(C)nc(Cl)c1C=O
InChIInChI=1S/C12H16ClN3O2/c1-3-9-7-18-5-4-16(9)12-10(6-17)11(13)14-8(2)15-12/h6,9H,3-5,7H2,1-2H3
InChIKeyJDQSYWSCYMHJLX-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.87
Rot. Bonds3

About 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80732462) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
PubChem CID80732462
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
SMILESCCC1COCCN1c1nc(C)nc(Cl)c1C=O
InChIInChI=1S/C12H16ClN3O2/c1-3-9-7-18-5-4-16(9)12-10(6-17)11(13)14-8(2)15-12/h6,9H,3-5,7H2,1-2H3
InChIKeyJDQSYWSCYMHJLX-UHFFFAOYSA-N
XLogP1.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.87
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

4-chloro-6-(2-ethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80733265
4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide
CID 83095423
4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732675
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732381
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 80732052
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
4-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732280
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051
4-chloro-2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine-5-carbaldehyde
CID 114411143
4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine
CID 76707359

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde (CID 80732462) is 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde is CCC1COCCN1c1nc(C)nc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is JDQSYWSCYMHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-3-9-7-18-5-4-16(9)12-10(6-17)11(13)14-8(2)15-12/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 269.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).