4-tert-butyl-2-(2-phenylethyl)pyrimidine

C16H20N2 — CID 58147148

IUPAC4-tert-butyl-2-(2-phenylethyl)pyrimidine
SMILESCC(C)(C)c1ccnc(CCc2ccccc2)n1
InChIInChI=1S/C16H20N2/c1-16(2,3)14-11-12-17-15(18-14)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyGHNCPORDEVQOCZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.56
Rot. Bonds3

About 4-tert-butyl-2-(2-phenylethyl)pyrimidine

4-tert-butyl-2-(2-phenylethyl)pyrimidine (PubChem CID 58147148) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-phenylethyl)pyrimidine
PubChem CID58147148
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-tert-butyl-2-(2-phenylethyl)pyrimidine
SMILESCC(C)(C)c1ccnc(CCc2ccccc2)n1
InChIInChI=1S/C16H20N2/c1-16(2,3)14-11-12-17-15(18-14)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyGHNCPORDEVQOCZ-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(2-phenylethyl)pyrimidine
CID 150687160
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N,N-dimethyl-4-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 150339127
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
benzene;2-phenylethylbenzene
CID 18982764
2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 42640854
N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66304134
3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one
CID 146511954
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511
4-methyl-2-(2-pyridin-4-ylethyl)quinazoline
CID 59888251
ethane;methane;2-phenylethylbenzene
CID 158652330
2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
CID 62746647

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-phenylethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-2-(2-phenylethyl)pyrimidine (CID 58147148) is 4-tert-butyl-2-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-2-(2-phenylethyl)pyrimidine is CC(C)(C)c1ccnc(CCc2ccccc2)n1.
What is the InChIKey of 4-tert-butyl-2-(2-phenylethyl)pyrimidine?
The InChIKey is GHNCPORDEVQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2,3)14-11-12-17-15(18-14)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2-phenylethyl)pyrimidine?
4-tert-butyl-2-(2-phenylethyl)pyrimidine has a molecular weight of 240.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 58147148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).