4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde

C7H7Cl2N3O — CID 13080957

IUPAC4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1nc(Cl)c(C=O)c(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-12(2)7-10-5(8)4(3-13)6(9)11-7/h3H,1-2H3
InChIKeyMIRDWVRBZCCJJR-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.66
Rot. Bonds2

About 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde

4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde (PubChem CID 13080957) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde
PubChem CID13080957
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1nc(Cl)c(C=O)c(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-12(2)7-10-5(8)4(3-13)6(9)11-7/h3H,1-2H3
InChIKeyMIRDWVRBZCCJJR-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde (CID 13080957) is 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde is CN(C)c1nc(Cl)c(C=O)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is MIRDWVRBZCCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-12(2)7-10-5(8)4(3-13)6(9)11-7/h3H,1-2H3.
What are the key properties of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde?
4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 220.06 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 13080957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).