2,4-ditert-butyl-5-methylpyrimidine;ethane

C15H28N2 — CID 154663505

IUPAC2,4-ditert-butyl-5-methylpyrimidine;ethane
SMILESCC.Cc1cnc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H22N2.C2H6/c1-9-8-14-11(13(5,6)7)15-10(9)12(2,3)4;1-2/h8H,1-7H3;1-2H3
InChIKeyJCKJTCMLBGXUIM-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.41
Rot. Bonds

About 2,4-ditert-butyl-5-methylpyrimidine;ethane

2,4-ditert-butyl-5-methylpyrimidine;ethane (PubChem CID 154663505) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-methylpyrimidine;ethane.

Molecular Properties

Compound Name2,4-ditert-butyl-5-methylpyrimidine;ethane
PubChem CID154663505
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2,4-ditert-butyl-5-methylpyrimidine;ethane
SMILESCC.Cc1cnc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H22N2.C2H6/c1-9-8-14-11(13(5,6)7)15-10(9)12(2,3)4;1-2/h8H,1-7H3;1-2H3
InChIKeyJCKJTCMLBGXUIM-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-fluoro-5-methylpyrimidine
CID 146377566
4-bromo-2-tert-butyl-5-methylpyrimidine
CID 153298631
2-tert-butyl-4-chloro-5-methylpyrimidine
CID 24903847
4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine
CID 139475198
2-tert-butyl-5-methylpyrimidine
CID 160929079
2-tert-butyl-4-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-5-methylpyrimidine
CID 169300662
2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine
CID 177123763
1-(2-tert-butyl-4-methylpyrimidin-5-yl)ethanone
CID 62771539
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
CID 168939240
2-tert-butyl-4-methyl-1,3,5-triazine
CID 20687906
4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146270411
2-tert-butyl-5-fluoropyrimidine
CID 22958265

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5-methylpyrimidine;ethane?
The IUPAC name of 2,4-ditert-butyl-5-methylpyrimidine;ethane (CID 154663505) is 2,4-ditert-butyl-5-methylpyrimidine;ethane.
What is the SMILES notation for 2,4-ditert-butyl-5-methylpyrimidine;ethane?
The canonical SMILES for 2,4-ditert-butyl-5-methylpyrimidine;ethane is CC.Cc1cnc(C(C)(C)C)nc1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-5-methylpyrimidine;ethane?
The InChIKey is JCKJTCMLBGXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-9-8-14-11(13(5,6)7)15-10(9)12(2,3)4;1-2/h8H,1-7H3;1-2H3.
What are the key properties of 2,4-ditert-butyl-5-methylpyrimidine;ethane?
2,4-ditert-butyl-5-methylpyrimidine;ethane has a molecular weight of 236.40 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5-methylpyrimidine;ethane is sourced from PubChem (CID 154663505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).