5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C21H22ClN5 — CID 175823716

IUPAC5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESClc1ccc(-c2cnc(-c3cccnc3)nc2NCCN2CCCC2)cc1
InChIInChI=1S/C21H22ClN5/c22-18-7-5-16(6-8-18)19-15-25-20(17-4-3-9-23-14-17)26-21(19)24-10-13-27-11-1-2-12-27/h3-9,14-15H,1-2,10-13H2,(H,24,25,26)
InChIKeyUQCKBIBTTSDRKL-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.37
Rot. Bonds6

About 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 175823716) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID175823716
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESClc1ccc(-c2cnc(-c3cccnc3)nc2NCCN2CCCC2)cc1
InChIInChI=1S/C21H22ClN5/c22-18-7-5-16(6-8-18)19-15-25-20(17-4-3-9-23-14-17)26-21(19)24-10-13-27-11-1-2-12-27/h3-9,14-15H,1-2,10-13H2,(H,24,25,26)
InChIKeyUQCKBIBTTSDRKL-UHFFFAOYSA-N
XLogP4.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 175823716) is 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is Clc1ccc(-c2cnc(-c3cccnc3)nc2NCCN2CCCC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is UQCKBIBTTSDRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c22-18-7-5-16(6-8-18)19-15-25-20(17-4-3-9-23-14-17)26-21(19)24-10-13-27-11-1-2-12-27/h3-9,14-15H,1-2,10-13H2,(H,24,25,26).
What are the key properties of 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 379.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 175823716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).