2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine

C17H21N3 — CID 78848726

IUPAC2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCCC2Cc2ccccc2)n1
InChIInChI=1S/C17H21N3/c1-13-11-14(2)19-17(18-13)20-10-6-9-16(20)12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3
InChIKeyGVHNMLWXUGMQHV-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.30
Rot. Bonds3

About 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine

2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine (PubChem CID 78848726) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
PubChem CID78848726
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCCC2Cc2ccccc2)n1
InChIInChI=1S/C17H21N3/c1-13-11-14(2)19-17(18-13)20-10-6-9-16(20)12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3
InChIKeyGVHNMLWXUGMQHV-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
CID 133482186
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine
CID 97226138
2-[(2S)-2-benzylpyrrolidin-1-yl]-5-nitropyrimidin-4-amine
CID 97015315
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
(2R)-2-[(4-fluorophenyl)methyl]-1-phenylpyrrolidine
CID 134966567
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114220038
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine (CID 78848726) is 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCCC2Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine?
The InChIKey is GVHNMLWXUGMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-11-14(2)19-17(18-13)20-10-6-9-16(20)12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3.
What are the key properties of 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine?
2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine has a molecular weight of 267.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 78848726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).