2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine

C15H17N3 — CID 2057538

IUPAC2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C15H17N3/c1-12-16-14(13-7-3-2-4-8-13)11-15(17-12)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyFEUOBXBJCRTTHB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds2

About 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine

2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 2057538) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID2057538
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C15H17N3/c1-12-16-14(13-7-3-2-4-8-13)11-15(17-12)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyFEUOBXBJCRTTHB-UHFFFAOYSA-N
XLogP3.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine (CID 2057538) is 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine is Cc1nc(-c2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is FEUOBXBJCRTTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12-16-14(13-7-3-2-4-8-13)11-15(17-12)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 239.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 2057538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).