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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Related Compounds

4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine
CID 166382767
N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 166382768
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463983
N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine
CID 166382766
2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486500
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133315928
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-5-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-1,2,4-triazole
CID 167868570
[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 125139492
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 166239632
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899891

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).