5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine

C15H15ClF3N3O2 — CID 118302959

IUPAC5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc(C(F)(F)F)c2Cl)cc1OC
InChIInChI=1S/C15H15ClF3N3O2/c1-23-10-4-3-9(7-11(10)24-2)5-6-20-14-12(16)13(15(17,18)19)21-8-22-14/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22)
InChIKeyYCJVWNHTOZBHCB-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.82
Rot. Bonds6

About 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine

5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 118302959) has the molecular formula C15H15ClF3N3O2 and a molecular weight of 361.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID118302959
Molecular FormulaC15H15ClF3N3O2
Molecular Weight361.75 g/mol
Exact Mass361.08
IUPAC Name5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc(C(F)(F)F)c2Cl)cc1OC
InChIInChI=1S/C15H15ClF3N3O2/c1-23-10-4-3-9(7-11(10)24-2)5-6-20-14-12(16)13(15(17,18)19)21-8-22-14/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22)
InChIKeyYCJVWNHTOZBHCB-UHFFFAOYSA-N
XLogP3.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541781
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818176
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541569
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 1315366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 118302959) is 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine is COc1ccc(CCNc2ncnc(C(F)(F)F)c2Cl)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YCJVWNHTOZBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2/c1-23-10-4-3-9(7-11(10)24-2)5-6-20-14-12(16)13(15(17,18)19)21-8-22-14/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22).
What are the key properties of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 361.75 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 118302959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).