4,6-dichloro-2-methylpyrimidine-5-carbaldehyde

C6H4Cl2N2O — CID 23035630

IUPAC4,6-dichloro-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(Cl)n1
InChIInChI=1S/C6H4Cl2N2O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3
InChIKeyDOMBYPXLCGLBRD-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.90
Rot. Bonds1

About 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde

4,6-dichloro-2-methylpyrimidine-5-carbaldehyde (PubChem CID 23035630) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-methylpyrimidine-5-carbaldehyde
PubChem CID23035630
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name4,6-dichloro-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(Cl)n1
InChIInChI=1S/C6H4Cl2N2O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3
InChIKeyDOMBYPXLCGLBRD-UHFFFAOYSA-N
XLogP1.90
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.90
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

2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde
CID 265546
4,6-Dichloro-5-pyrimidinecarbaldehyde
CID 819691
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
CID 10932746
5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
CID 84230
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 4614004
4-Chloro-6-(methylamino)pyrimidine-5-carbaldehyde
CID 12278266
4,6-Dichloro-2-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 53485882
4,6-Dichloro-2-methylpyrimidine-5-carboxylic acid
CID 58265017
4-Amino-2,6-dichloropyrimidine-5-carbaldehyde
CID 45790851
Methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
CID 130056470
4,6-Dichloro-2-methylthio-pyrimidine-5-carboxylic acid
CID 86643708
2,4,6-Trichloropyrimidine-5-carbonyl fluoride
CID 20083942

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde (CID 23035630) is 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is DOMBYPXLCGLBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3.
What are the key properties of 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde?
4,6-dichloro-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 191.02 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 23035630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).