4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine

C22H23N3O2 — CID 630454

IUPAC4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N3CCCC3)n2)cc1OC
InChIInChI=1S/C22H23N3O2/c1-26-20-11-10-17(14-21(20)27-2)19-15-18(16-8-4-3-5-9-16)23-22(24-19)25-12-6-7-13-25/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3
InChIKeyNZFJEFQKVNNZGQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.43
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine

4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 630454) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID630454
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N3CCCC3)n2)cc1OC
InChIInChI=1S/C22H23N3O2/c1-26-20-11-10-17(14-21(20)27-2)19-15-18(16-8-4-3-5-9-16)23-22(24-19)25-12-6-7-13-25/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3
InChIKeyNZFJEFQKVNNZGQ-UHFFFAOYSA-N
XLogP4.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine (CID 630454) is 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCC3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is NZFJEFQKVNNZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-26-20-11-10-17(14-21(20)27-2)19-15-18(16-8-4-3-5-9-16)23-22(24-19)25-12-6-7-13-25/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine?
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 361.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 630454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).