4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde

C15H15Cl2N3O — CID 80725929

IUPAC4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H15Cl2N3O/c1-9(11-5-4-6-12(16)7-11)20(3)15-13(8-21)14(17)18-10(2)19-15/h4-9H,1-3H3
InChIKeyIPALYTGNJRNLHE-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.10
Rot. Bonds4

About 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80725929) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID80725929
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H15Cl2N3O/c1-9(11-5-4-6-12(16)7-11)20(3)15-13(8-21)14(17)18-10(2)19-15/h4-9H,1-3H3
InChIKeyIPALYTGNJRNLHE-UHFFFAOYSA-N
XLogP4.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-[methyl(4-methylpentan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 80732291
3-chloro-4-[1-(3-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145827
6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 62985307
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367908
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde
CID 63536493
2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544416
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79881400
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde (CID 80725929) is 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N(C)C(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is IPALYTGNJRNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(11-5-4-6-12(16)7-11)20(3)15-13(8-21)14(17)18-10(2)19-15/h4-9H,1-3H3.
What are the key properties of 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 324.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80725929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).