4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine

C21H21ClN4 — CID 44591428

IUPAC4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCCC2Cc2ccccc2)c1Cl
InChIInChI=1S/C21H21ClN4/c1-15-19(22)21(25-20(24-15)18-11-5-6-12-23-18)26-13-7-10-17(26)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3
InChIKeyNNEBWQCEZXSTPA-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.71
Rot. Bonds4

About 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine

4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 44591428) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID44591428
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCCC2Cc2ccccc2)c1Cl
InChIInChI=1S/C21H21ClN4/c1-15-19(22)21(25-20(24-15)18-11-5-6-12-23-18)26-13-7-10-17(26)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3
InChIKeyNNEBWQCEZXSTPA-UHFFFAOYSA-N
XLogP4.71
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine (CID 44591428) is 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine is Cc1nc(-c2ccccn2)nc(N2CCCC2Cc2ccccc2)c1Cl.
What is the InChIKey of 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is NNEBWQCEZXSTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c1-15-19(22)21(25-20(24-15)18-11-5-6-12-23-18)26-13-7-10-17(26)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3.
What are the key properties of 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine?
4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 364.88 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylpyrrolidin-1-yl)-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 44591428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).