2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine

C15H24ClN3 — CID 113418376

IUPAC2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2cc(Cl)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H24ClN3/c1-10(2)11-6-7-19(9-11)13-8-12(16)17-14(18-13)15(3,4)5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyGYIYIYAHCLTBKJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.91
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine

2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 113418376) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
PubChem CID113418376
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2cc(Cl)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H24ClN3/c1-10(2)11-6-7-19(9-11)13-8-12(16)17-14(18-13)15(3,4)5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyGYIYIYAHCLTBKJ-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701
2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
CID 114539092
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
2-tert-butyl-4-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80946423
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772934
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102716130
2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 113417713
1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836980

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine (CID 113418376) is 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine is CC(C)C1CCN(c2cc(Cl)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is GYIYIYAHCLTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10(2)11-6-7-19(9-11)13-8-12(16)17-14(18-13)15(3,4)5/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine?
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 281.83 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 113418376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).