N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C18H20F3N3 — CID 162582644

IUPACN-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(-c2cccc(C(F)(F)F)c2)c(NC2CCCC2)n1
InChIInChI=1S/C18H20F3N3/c1-11-16(13-6-5-7-14(10-13)18(19,20)21)17(23-12(2)22-11)24-15-8-3-4-9-15/h5-7,10,15H,3-4,8-9H2,1-2H3,(H,22,23,24)
InChIKeyKOMHFTXWQOKZLL-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.13
Rot. Bonds3

About N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 162582644) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID162582644
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(-c2cccc(C(F)(F)F)c2)c(NC2CCCC2)n1
InChIInChI=1S/C18H20F3N3/c1-11-16(13-6-5-7-14(10-13)18(19,20)21)17(23-12(2)22-11)24-15-8-3-4-9-15/h5-7,10,15H,3-4,8-9H2,1-2H3,(H,22,23,24)
InChIKeyKOMHFTXWQOKZLL-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopentyl-5-iodo-2-methylpyrimidin-4-amine;6-chloro-N-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[3-(trifluoromethyl)phenyl]boronic acid
CID 158803022
6-chloro-N-cyclopentyl-2-methyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine;ethane
CID 143373172
5-[2,4-bis(trifluoromethyl)phenyl]-N-cyclopentyl-2-methylpyrimidin-4-amine
CID 59405039
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
N-cyclobutyl-2,5,6-trimethylpyrimidin-4-amine
CID 130906121
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 68946711
3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809636
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 162582644) is N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1nc(C)c(-c2cccc(C(F)(F)F)c2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is KOMHFTXWQOKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c1-11-16(13-6-5-7-14(10-13)18(19,20)21)17(23-12(2)22-11)24-15-8-3-4-9-15/h5-7,10,15H,3-4,8-9H2,1-2H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 162582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).