6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine

C13H11Cl4N3 — CID 80973855

IUPAC6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C13H11Cl4N3/c1-3-11-19-12(17)6(2)13(20-11)18-10-5-8(15)7(14)4-9(10)16/h4-5H,3H2,1-2H3,(H,18,19,20)
InChIKeyVDLIXIKULDJYNW-UHFFFAOYSA-N
MW351.06 g/mol
LogP5.70
Rot. Bonds3

About 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine (PubChem CID 80973855) has the molecular formula C13H11Cl4N3 and a molecular weight of 351.06 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
PubChem CID80973855
Molecular FormulaC13H11Cl4N3
Molecular Weight351.06 g/mol
Exact Mass348.97
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C13H11Cl4N3/c1-3-11-19-12(17)6(2)13(20-11)18-10-5-8(15)7(14)4-9(10)16/h4-5H,3H2,1-2H3,(H,18,19,20)
InChIKeyVDLIXIKULDJYNW-UHFFFAOYSA-N
XLogP5.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.06
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 107792315
6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974359
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-N-(3-fluoro-2-iodophenyl)-5-methylpyrimidin-4-amine
CID 114260994
4-N-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine (CID 80973855) is 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(Nc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine?
The InChIKey is VDLIXIKULDJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl4N3/c1-3-11-19-12(17)6(2)13(20-11)18-10-5-8(15)7(14)4-9(10)16/h4-5H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine has a molecular weight of 351.06 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80973855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).