4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine

C16H19N3 — CID 116893348

IUPAC4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
SMILESCc1cc(-c2ccccc2C)nc(C2CCCN2)n1
InChIInChI=1S/C16H19N3/c1-11-6-3-4-7-13(11)15-10-12(2)18-16(19-15)14-8-5-9-17-14/h3-4,6-7,10,14,17H,5,8-9H2,1-2H3
InChIKeyIIVLTBJJKLPLMW-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.18
Rot. Bonds2

About 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine

4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine (PubChem CID 116893348) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
PubChem CID116893348
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
SMILESCc1cc(-c2ccccc2C)nc(C2CCCN2)n1
InChIInChI=1S/C16H19N3/c1-11-6-3-4-7-13(11)15-10-12(2)18-16(19-15)14-8-5-9-17-14/h3-4,6-7,10,14,17H,5,8-9H2,1-2H3
InChIKeyIIVLTBJJKLPLMW-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 95846428
2-(2-methylphenyl)-5-pyrrolidin-2-ylpyrazine
CID 155983162
4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
CID 63319069
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 110100411
4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
CID 124938852
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763
4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine (CID 116893348) is 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine is Cc1cc(-c2ccccc2C)nc(C2CCCN2)n1.
What is the InChIKey of 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine?
The InChIKey is IIVLTBJJKLPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-6-3-4-7-13(11)15-10-12(2)18-16(19-15)14-8-5-9-17-14/h3-4,6-7,10,14,17H,5,8-9H2,1-2H3.
What are the key properties of 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine?
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine has a molecular weight of 253.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 116893348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).