5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride

C16H19Cl2N3 — CID 68819818

IUPAC5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride
SMILESCc1nc(C2CCCN2)ncc1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H18ClN3.ClH/c1-11-13(9-12-4-6-14(17)7-5-12)10-19-16(20-11)15-3-2-8-18-15;/h4-7,10,15,18H,2-3,8-9H2,1H3;1H
InChIKeyOYAAGIMFZMXHGA-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.88
Rot. Bonds3

About 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride

5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride (PubChem CID 68819818) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride
PubChem CID68819818
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride
SMILESCc1nc(C2CCCN2)ncc1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H18ClN3.ClH/c1-11-13(9-12-4-6-14(17)7-5-12)10-19-16(20-11)15-3-2-8-18-15;/h4-7,10,15,18H,2-3,8-9H2,1H3;1H
InChIKeyOYAAGIMFZMXHGA-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816697
5-methyl-2-piperidin-2-ylpyrimidine
CID 63317257
4-[(4-chlorophenyl)methyl]-3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 95180464
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
5-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 16677923
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
CID 57420134
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
CID 115070172
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 124967932
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride (CID 68819818) is 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride is Cc1nc(C2CCCN2)ncc1Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
The InChIKey is OYAAGIMFZMXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3.ClH/c1-11-13(9-12-4-6-14(17)7-5-12)10-19-16(20-11)15-3-2-8-18-15;/h4-7,10,15,18H,2-3,8-9H2,1H3;1H.
What are the key properties of 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride has a molecular weight of 324.25 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride is sourced from PubChem (CID 68819818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).