4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde

C8H9ClN2O — CID 131075508

IUPAC4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde
SMILESCCc1nc(C)c(C=O)c(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-3-7-10-5(2)6(4-12)8(9)11-7/h4H,3H2,1-2H3
InChIKeyYECYFQZBJDUJJC-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.81
Rot. Bonds2

About 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde

4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde (PubChem CID 131075508) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde
PubChem CID131075508
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde
SMILESCCc1nc(C)c(C=O)c(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-3-7-10-5(2)6(4-12)8(9)11-7/h4H,3H2,1-2H3
InChIKeyYECYFQZBJDUJJC-UHFFFAOYSA-N
XLogP1.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chloro-2,6-dimethylpyrimidin-5-yl)ethanone
CID 12709743
4-Chloro-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 19702792
1-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanone
CID 84700811
4-Amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde
CID 10725753
2,4-Dichloro-6-methylpyrimidine-5-carbonyl chloride
CID 18972875
2,4,6-Trimethylpyrimidine-5-carbaldehyde
CID 20206446
2,4-Dichloro-6-methylpyrimidine-5-carbaldehyde
CID 22647852
4-Amino-2,6-dimethylpyrimidine-5-carbaldehyde
CID 23458572
4-Chloro-6-methyl-2-methylsulfonylpyrimidine-5-carbaldehyde
CID 53969533
4-Chloro-6-methyl-2-(methylthio)-5-pyrimidinecarboxaldehyde
CID 57530510
2-Amino-4-chloro-6-methylpyrimidine-5-carbaldehyde
CID 57824835
4-(Ethylamino)-2,6-dimethylpyrimidine-5-carbaldehyde
CID 57930766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde (CID 131075508) is 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde is CCc1nc(C)c(C=O)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde?
The InChIKey is YECYFQZBJDUJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-3-7-10-5(2)6(4-12)8(9)11-7/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde?
4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde has a molecular weight of 184.63 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 131075508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).