(3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C19H19ClF3N5O — CID 165408183

IUPAC(3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESN[C@@H]1CN(c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)ncc2C2=CCNC2)C[C@H]1O
InChIInChI=1S/C19H19ClF3N5O/c20-14-2-1-10(5-13(14)19(21,22)23)17-26-7-12(11-3-4-25-6-11)18(27-17)28-8-15(24)16(29)9-28/h1-3,5,7,15-16,25,29H,4,6,8-9,24H2/t15-,16-/m1/s1
InChIKeyQZRXQPHJDANFGL-HZPDHXFCSA-N
MW425.84 g/mol
LogP2.31
Rot. Bonds3

About (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

(3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 165408183) has the molecular formula C19H19ClF3N5O and a molecular weight of 425.84 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID165408183
Molecular FormulaC19H19ClF3N5O
Molecular Weight425.84 g/mol
Exact Mass425.12
IUPAC Name(3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESN[C@@H]1CN(c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)ncc2C2=CCNC2)C[C@H]1O
InChIInChI=1S/C19H19ClF3N5O/c20-14-2-1-10(5-13(14)19(21,22)23)17-26-7-12(11-3-4-25-6-11)18(27-17)28-8-15(24)16(29)9-28/h1-3,5,7,15-16,25,29H,4,6,8-9,24H2/t15-,16-/m1/s1
InChIKeyQZRXQPHJDANFGL-HZPDHXFCSA-N
XLogP2.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 165408208
[(3S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanamine;2,2,2-trifluoroacetic acid
CID 174189424
5-[4-[3-(aminomethyl)pyrrolidin-1-yl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-2-yl]-2-chlorobenzonitrile
CID 165408343
[1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methylcarbamic acid
CID 174189403
N-[[2-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrrolidin-1-ylpyrimidin-5-yl]methyl]-1-cyanocyclopropane-1-carboxamide;methanamine
CID 165408203
tert-butyl N-[2-[4-[3-(carbamoyloxymethyl)pyrrolidin-1-yl]-2-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxyethyl]carbamate
CID 174189431
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 171678646
4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 130466741
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
4-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 4038280
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 165408183) is (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol is N[C@@H]1CN(c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)ncc2C2=CCNC2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is QZRXQPHJDANFGL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19ClF3N5O/c20-14-2-1-10(5-13(14)19(21,22)23)17-26-7-12(11-3-4-25-6-11)18(27-17)28-8-15(24)16(29)9-28/h1-3,5,7,15-16,25,29H,4,6,8-9,24H2/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 425.84 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 165408183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).