4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde

C13H10Cl3N3O — CID 86615710

IUPAC4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl3N3O/c14-9-2-1-8(10(15)5-9)3-4-17-12-6-11(16)18-13(7-20)19-12/h1-2,5-7H,3-4H2,(H,17,18,19)
InChIKeyGGCSVVPSLAYWGU-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.90
Rot. Bonds5

About 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde

4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde (PubChem CID 86615710) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde
PubChem CID86615710
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl3N3O/c14-9-2-1-8(10(15)5-9)3-4-17-12-6-11(16)18-13(7-20)19-12/h1-2,5-7H,3-4H2,(H,17,18,19)
InChIKeyGGCSVVPSLAYWGU-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80726063
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373410
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde?
The IUPAC name of 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde (CID 86615710) is 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde is O=Cc1nc(Cl)cc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde?
The InChIKey is GGCSVVPSLAYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c14-9-2-1-8(10(15)5-9)3-4-17-12-6-11(16)18-13(7-20)19-12/h1-2,5-7H,3-4H2,(H,17,18,19).
What are the key properties of 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde?
4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde has a molecular weight of 330.60 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 86615710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).