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

C19H21F3N4O — CID 172902746

IUPAC2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)cc1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)27-16-5-1-13(2-6-16)11-26-10-8-15(12-26)24-17-7-9-23-18(25-17)14-3-4-14/h1-2,5-7,9,14-15H,3-4,8,10-12H2,(H,23,24,25)
InChIKeyWEOGOQHPTWVCSC-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.94
Rot. Bonds6

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

2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172902746) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172902746
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)cc1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)27-16-5-1-13(2-6-16)11-26-10-8-15(12-26)24-17-7-9-23-18(25-17)14-3-4-14/h1-2,5-7,9,14-15H,3-4,8,10-12H2,(H,23,24,25)
InChIKeyWEOGOQHPTWVCSC-UHFFFAOYSA-N
XLogP3.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
2-cyclopropyl-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904212
2-cyclopropyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172901039
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
N-[4-[[4-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 172902381
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 139013055
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171996026

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 172902746) is 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is WEOGOQHPTWVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)27-16-5-1-13(2-6-16)11-26-10-8-15(12-26)24-17-7-9-23-18(25-17)14-3-4-14/h1-2,5-7,9,14-15H,3-4,8,10-12H2,(H,23,24,25).
What are the key properties of 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 378.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172902746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).