4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine

C14H23N3 — CID 133377107

IUPAC4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCCCC(C)C1CCCN1c1cc(C)ncn1
InChIInChI=1S/C14H23N3/c1-4-6-11(2)13-7-5-8-17(13)14-9-12(3)15-10-16-14/h9-11,13H,4-8H2,1-3H3
InChIKeyAITXCKQBLLXKLL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine

4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 133377107) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
PubChem CID133377107
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCCCC(C)C1CCCN1c1cc(C)ncn1
InChIInChI=1S/C14H23N3/c1-4-6-11(2)13-7-5-8-17(13)14-9-12(3)15-10-16-14/h9-11,13H,4-8H2,1-3H3
InChIKeyAITXCKQBLLXKLL-UHFFFAOYSA-N
XLogP3.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377070
4-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 129348905
4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 126792369
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
CID 97158763
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
N-methyl-1-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63854574
2-amino-1-(6-methylpyrimidin-4-yl)piperidin-4-ol
CID 67343407
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine (CID 133377107) is 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine is CCCC(C)C1CCCN1c1cc(C)ncn1.
What is the InChIKey of 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is AITXCKQBLLXKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-6-11(2)13-7-5-8-17(13)14-9-12(3)15-10-16-14/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 233.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 133377107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).