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

C6H4Cl2N2O — CID 22647852

IUPAC2,4-dichloro-6-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)nc(Cl)c1C=O
InChIInChI=1S/C6H4Cl2N2O/c1-3-4(2-11)5(7)10-6(8)9-3/h2H,1H3
InChIKeyPVKFWQVCQOEHHE-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.90
Rot. Bonds1

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

2,4-dichloro-6-methylpyrimidine-5-carbaldehyde (PubChem CID 22647852) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dichloro-6-methylpyrimidine-5-carbaldehyde
PubChem CID22647852
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name2,4-dichloro-6-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)nc(Cl)c1C=O
InChIInChI=1S/C6H4Cl2N2O/c1-3-4(2-11)5(7)10-6(8)9-3/h2H,1H3
InChIKeyPVKFWQVCQOEHHE-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde (CID 22647852) is 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)nc(Cl)c1C=O.
What is the InChIKey of 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde?
The InChIKey is PVKFWQVCQOEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O/c1-3-4(2-11)5(7)10-6(8)9-3/h2H,1H3.
What are the key properties of 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde?
2,4-dichloro-6-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 2,4-dichloro-6-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 22647852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).