4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine

C19H25N3 — CID 166382778

IUPAC4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCc1ccc(C2CC(C)N(c3ccnc(C(C)C)n3)C2)cc1
InChIInChI=1S/C19H25N3/c1-13(2)19-20-10-9-18(21-19)22-12-17(11-15(22)4)16-7-5-14(3)6-8-16/h5-10,13,15,17H,11-12H2,1-4H3
InChIKeyVIBWJBYLWYJYKI-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.29
Rot. Bonds3

About 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine

4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine (PubChem CID 166382778) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
PubChem CID166382778
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCc1ccc(C2CC(C)N(c3ccnc(C(C)C)n3)C2)cc1
InChIInChI=1S/C19H25N3/c1-13(2)19-20-10-9-18(21-19)22-12-17(11-15(22)4)16-7-5-14(3)6-8-16/h5-10,13,15,17H,11-12H2,1-4H3
InChIKeyVIBWJBYLWYJYKI-UHFFFAOYSA-N
XLogP4.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine (CID 166382778) is 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine is Cc1ccc(C2CC(C)N(c3ccnc(C(C)C)n3)C2)cc1.
What is the InChIKey of 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
The InChIKey is VIBWJBYLWYJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-13(2)19-20-10-9-18(21-19)22-12-17(11-15(22)4)16-7-5-14(3)6-8-16/h5-10,13,15,17H,11-12H2,1-4H3.
What are the key properties of 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine?
4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine has a molecular weight of 295.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 166382778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).