4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine

C20H19ClN4S — CID 1489500

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESClc1ccc(SCc2cc(N3CCCC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H19ClN4S/c21-15-6-8-17(9-7-15)26-14-16-13-19(25-11-3-4-12-25)24-20(23-16)18-5-1-2-10-22-18/h1-2,5-10,13H,3-4,11-12,14H2
InChIKeyGZIWDBHEBRWZFF-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.08
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine

4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 1489500) has the molecular formula C20H19ClN4S and a molecular weight of 382.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID1489500
Molecular FormulaC20H19ClN4S
Molecular Weight382.92 g/mol
Exact Mass382.10
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESClc1ccc(SCc2cc(N3CCCC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H19ClN4S/c21-15-6-8-17(9-7-15)26-14-16-13-19(25-11-3-4-12-25)24-20(23-16)18-5-1-2-10-22-18/h1-2,5-10,13H,3-4,11-12,14H2
InChIKeyGZIWDBHEBRWZFF-UHFFFAOYSA-N
XLogP5.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11381029
4-(3-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11460771
2-(4-Chloro-phenylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 739934
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3851518
4-(6-(((4-Chlorophenyl)sulfanyl)methyl)-2-(2-pyridinyl)-4-pyrimidinyl)morpholine
CID 1489499
4-(3,4-Dichlorophenylthio)-2-(5-fluoropyridin-2-yl)pyrimidine
CID 11256656
4-[(3,4-Dichlorophenyl)thio]-2-(6-methylpyridin-2-yl)pyrimidine
CID 11382452
4-(3,4-Dichloro-phenylsulfanyl)-2-pyridin-2-yl-pyrimidine
CID 11771968
2-[(4-Chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 694267
2-[[(4-Chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
CID 747966
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(4-pyridinyl)pyrimidine
CID 1475402

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine (CID 1489500) is 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine is Clc1ccc(SCc2cc(N3CCCC3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is GZIWDBHEBRWZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4S/c21-15-6-8-17(9-7-15)26-14-16-13-19(25-11-3-4-12-25)24-20(23-16)18-5-1-2-10-22-18/h1-2,5-10,13H,3-4,11-12,14H2.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 382.92 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 1489500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).