5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine

C14H14Cl3N3 — CID 167565538

IUPAC5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NC(C)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl3N3/c1-7(11-5-4-10(15)6-12(11)16)19-14-13(17)8(2)18-9(3)20-14/h4-7H,1-3H3,(H,18,19,20)
InChIKeyFFRLFXMEWBKCCL-UHFFFAOYSA-N
MW330.65 g/mol
LogP5.23
Rot. Bonds3

About 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 167565538) has the molecular formula C14H14Cl3N3 and a molecular weight of 330.65 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID167565538
Molecular FormulaC14H14Cl3N3
Molecular Weight330.65 g/mol
Exact Mass329.03
IUPAC Name5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NC(C)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl3N3/c1-7(11-5-4-10(15)6-12(11)16)19-14-13(17)8(2)18-9(3)20-14/h4-7H,1-3H3,(H,18,19,20)
InChIKeyFFRLFXMEWBKCCL-UHFFFAOYSA-N
XLogP5.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.65
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-2-[4-[(3R)-piperidin-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 170166724
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61312514
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
[4-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methylpyrimidin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 169253416
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 167565538) is 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Cl)c(NC(C)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is FFRLFXMEWBKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3/c1-7(11-5-4-10(15)6-12(11)16)19-14-13(17)8(2)18-9(3)20-14/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 330.65 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 167565538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).