2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C20H23F3N4 — CID 172904384

IUPAC2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N4/c1-26(18-7-9-24-19(25-18)15-5-6-15)17-8-10-27(13-17)12-14-3-2-4-16(11-14)20(21,22)23/h2-4,7,9,11,15,17H,5-6,8,10,12-13H2,1H3
InChIKeyQRMLVHOYRGCMAG-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.08
Rot. Bonds5

About 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172904384) has the molecular formula C20H23F3N4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172904384
Molecular FormulaC20H23F3N4
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N4/c1-26(18-7-9-24-19(25-18)15-5-6-15)17-8-10-27(13-17)12-14-3-2-4-16(11-14)20(21,22)23/h2-4,7,9,11,15,17H,5-6,8,10,12-13H2,1H3
InChIKeyQRMLVHOYRGCMAG-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-morpholin-4-yl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902281
2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
CID 172902539
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904420
2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172903091
2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904596
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904106
2-[4-[(2-cyclopropylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904606
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 172904384) is 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is QRMLVHOYRGCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4/c1-26(18-7-9-24-19(25-18)15-5-6-15)17-8-10-27(13-17)12-14-3-2-4-16(11-14)20(21,22)23/h2-4,7,9,11,15,17H,5-6,8,10,12-13H2,1H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 376.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172904384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).