2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine

C15H25N3 — CID 133377070

IUPAC2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCCCC(C)C1CCCN1c1cc(C)nc(C)n1
InChIInChI=1S/C15H25N3/c1-5-7-11(2)14-8-6-9-18(14)15-10-12(3)16-13(4)17-15/h10-11,14H,5-9H2,1-4H3
InChIKeyLCIKWDDEYVMTEQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.50
Rot. Bonds4

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

2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 133377070) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
PubChem CID133377070
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCCCC(C)C1CCCN1c1cc(C)nc(C)n1
InChIInChI=1S/C15H25N3/c1-5-7-11(2)14-8-6-9-18(14)15-10-12(3)16-13(4)17-15/h10-11,14H,5-9H2,1-4H3
InChIKeyLCIKWDDEYVMTEQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377107
4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
CID 97158763
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55218834
2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane
CID 126817544
2-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80855816
1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 121201735
N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 63853700
N-[[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62592513
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587
4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55184425
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
CID 95789765

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine (CID 133377070) is 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine is CCCC(C)C1CCCN1c1cc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is LCIKWDDEYVMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-7-11(2)14-8-6-9-18(14)15-10-12(3)16-13(4)17-15/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine?
2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 133377070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).