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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Related Compounds

5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine
CID 175823724
5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 175823730
5-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 175823739
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
(8S)-1'-[(4-chlorophenyl)methyl]-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 98778628
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
6-benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 127040945
3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
2-[[1'-(3-methylbut-2-enyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]ethanol
CID 154822123

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).