6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H12ClF3N4 — CID 106767255

IUPAC6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(7-4-9-2-5-18-6-3-9)11-8-10(14)19-12(20-11)13(15,16)17/h2-3,5-6,8H,4,7H2,1H3
InChIKeyDGRMOVMXZFZPHC-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.22
Rot. Bonds4

About 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767255) has the molecular formula C13H12ClF3N4 and a molecular weight of 316.71 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767255
Molecular FormulaC13H12ClF3N4
Molecular Weight316.71 g/mol
Exact Mass316.07
IUPAC Name6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(7-4-9-2-5-18-6-3-9)11-8-10(14)19-12(20-11)13(15,16)17/h2-3,5-6,8H,4,7H2,1H3
InChIKeyDGRMOVMXZFZPHC-UHFFFAOYSA-N
XLogP3.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 154882630
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415
4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770835
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80547048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767255) is 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CN(CCc1ccncc1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DGRMOVMXZFZPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4/c1-21(7-4-9-2-5-18-6-3-9)11-8-10(14)19-12(20-11)13(15,16)17/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 316.71 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).