2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine

C16H21FN4 — CID 155140139

IUPAC2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine
SMILESCC(C)(C)c1ncc(F)c(CC(C)(C)c2ncccn2)n1
InChIInChI=1S/C16H21FN4/c1-15(2,3)13-20-10-11(17)12(21-13)9-16(4,5)14-18-7-6-8-19-14/h6-8,10H,9H2,1-5H3
InChIKeyZPKGMWYKWFPPHA-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.22
Rot. Bonds3

About 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine

2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine (PubChem CID 155140139) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine
PubChem CID155140139
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine
SMILESCC(C)(C)c1ncc(F)c(CC(C)(C)c2ncccn2)n1
InChIInChI=1S/C16H21FN4/c1-15(2,3)13-20-10-11(17)12(21-13)9-16(4,5)14-18-7-6-8-19-14/h6-8,10H,9H2,1-5H3
InChIKeyZPKGMWYKWFPPHA-UHFFFAOYSA-N
XLogP3.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine (CID 155140139) is 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine is CC(C)(C)c1ncc(F)c(CC(C)(C)c2ncccn2)n1.
What is the InChIKey of 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine?
The InChIKey is ZPKGMWYKWFPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-15(2,3)13-20-10-11(17)12(21-13)9-16(4,5)14-18-7-6-8-19-14/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine?
2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine has a molecular weight of 288.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine is sourced from PubChem (CID 155140139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).