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

C20H23F3N4 — CID 171999625

IUPACN-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(C2CC2)C2CCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C20H23F3N4/c21-20(22,23)18-8-11-24-19(25-18)27(16-6-7-16)17-10-13-26(14-17)12-9-15-4-2-1-3-5-15/h1-5,8,11,16-17H,6-7,9-10,12-14H2
InChIKeyJWCYNMUZDOXJKK-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.78
Rot. Bonds6

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

N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171999625) has the molecular formula C20H23F3N4 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171999625
Molecular FormulaC20H23F3N4
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC NameN-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(C2CC2)C2CCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C20H23F3N4/c21-20(22,23)18-8-11-24-19(25-18)27(16-6-7-16)17-10-13-26(14-17)12-9-15-4-2-1-3-5-15/h1-5,8,11,16-17H,6-7,9-10,12-14H2
InChIKeyJWCYNMUZDOXJKK-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998396
N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171999634
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
CID 56883222
1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine
CID 106210405
1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
CID 133348967
2-[1-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidine
CID 146152703
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219
1,4-bis(2-phenylethyl)piperidine
CID 86059939

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 171999625) is N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(N(C2CC2)C2CCN(CCc3ccccc3)C2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JWCYNMUZDOXJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4/c21-20(22,23)18-8-11-24-19(25-18)27(16-6-7-16)17-10-13-26(14-17)12-9-15-4-2-1-3-5-15/h1-5,8,11,16-17H,6-7,9-10,12-14H2.
What are the key properties of N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 376.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171999625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).