(3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine

C20H18Cl2N4 — CID 23647099

IUPAC(3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CN(c2nccc(-c3ccccc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2/t16-,18+/m1/s1
InChIKeyANEZVMLVQSLOFS-AEFFLSMTSA-N
MW385.30 g/mol
LogP4.38
Rot. Bonds3

About (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine

(3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 23647099) has the molecular formula C20H18Cl2N4 and a molecular weight of 385.30 g/mol. Its IUPAC name is (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID23647099
Molecular FormulaC20H18Cl2N4
Molecular Weight385.30 g/mol
Exact Mass384.09
IUPAC Name(3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CN(c2nccc(-c3ccccc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2/t16-,18+/m1/s1
InChIKeyANEZVMLVQSLOFS-AEFFLSMTSA-N
XLogP4.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine (CID 23647099) is (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine is N[C@H]1CN(c2nccc(-c3ccccc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is ANEZVMLVQSLOFS-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2/t16-,18+/m1/s1.
What are the key properties of (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
(3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 385.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 23647099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).