1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol

C15H15BrCl2N4O — CID 68960202

IUPAC1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol
SMILESOC1CN(c2ncc(Br)cn2)CC1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15BrCl2N4O/c16-10-5-20-15(21-6-10)22-7-13(14(23)8-22)19-4-9-1-2-11(17)3-12(9)18/h1-3,5-6,13-14,19,23H,4,7-8H2
InChIKeyWXSKVBVLOKWPFZ-UHFFFAOYSA-N
MW418.12 g/mol
LogP2.89
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol

1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol (PubChem CID 68960202) has the molecular formula C15H15BrCl2N4O and a molecular weight of 418.12 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol
PubChem CID68960202
Molecular FormulaC15H15BrCl2N4O
Molecular Weight418.12 g/mol
Exact Mass415.98
IUPAC Name1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol
SMILESOC1CN(c2ncc(Br)cn2)CC1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15BrCl2N4O/c16-10-5-20-15(21-6-10)22-7-13(14(23)8-22)19-4-9-1-2-11(17)3-12(9)18/h1-3,5-6,13-14,19,23H,4,7-8H2
InChIKeyWXSKVBVLOKWPFZ-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.12
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol (CID 68960202) is 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol is OC1CN(c2ncc(Br)cn2)CC1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol?
The InChIKey is WXSKVBVLOKWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N4O/c16-10-5-20-15(21-6-10)22-7-13(14(23)8-22)19-4-9-1-2-11(17)3-12(9)18/h1-3,5-6,13-14,19,23H,4,7-8H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol?
1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol has a molecular weight of 418.12 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-4-[(2,4-dichlorophenyl)methylamino]pyrrolidin-3-ol is sourced from PubChem (CID 68960202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).