4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine

C17H21N3 — CID 115069923

IUPAC4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
SMILESCc1ccc(-c2nc(C)c(C3CCCN3)c(C)n2)cc1
InChIInChI=1S/C17H21N3/c1-11-6-8-14(9-7-11)17-19-12(2)16(13(3)20-17)15-5-4-10-18-15/h6-9,15,18H,4-5,10H2,1-3H3
InChIKeyWLEOKRFNDWVYJT-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.49
Rot. Bonds2

About 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine

4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine (PubChem CID 115069923) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
PubChem CID115069923
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
SMILESCc1ccc(-c2nc(C)c(C3CCCN3)c(C)n2)cc1
InChIInChI=1S/C17H21N3/c1-11-6-8-14(9-7-11)17-19-12(2)16(13(3)20-17)15-5-4-10-18-15/h6-9,15,18H,4-5,10H2,1-3H3
InChIKeyWLEOKRFNDWVYJT-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115069914
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
CID 115069875
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
CID 69202900
2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole
CID 115036775
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 96633250
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine (CID 115069923) is 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine is Cc1ccc(-c2nc(C)c(C3CCCN3)c(C)n2)cc1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine?
The InChIKey is WLEOKRFNDWVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11-6-8-14(9-7-11)17-19-12(2)16(13(3)20-17)15-5-4-10-18-15/h6-9,15,18H,4-5,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine?
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine has a molecular weight of 267.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 115069923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).