4,6-ditert-butyl-2-methylpyrimidine;ethane

C15H28N2 — CID 144567554

IUPAC4,6-ditert-butyl-2-methylpyrimidine;ethane
SMILESCC.Cc1nc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H22N2.C2H6/c1-9-14-10(12(2,3)4)8-11(15-9)13(5,6)7;1-2/h8H,1-7H3;1-2H3
InChIKeyAWHOLVHLLXJLPJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.41
Rot. Bonds

About 4,6-ditert-butyl-2-methylpyrimidine;ethane

4,6-ditert-butyl-2-methylpyrimidine;ethane (PubChem CID 144567554) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-methylpyrimidine;ethane.

Molecular Properties

Compound Name4,6-ditert-butyl-2-methylpyrimidine;ethane
PubChem CID144567554
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4,6-ditert-butyl-2-methylpyrimidine;ethane
SMILESCC.Cc1nc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H22N2.C2H6/c1-9-14-10(12(2,3)4)8-11(15-9)13(5,6)7;1-2/h8H,1-7H3;1-2H3
InChIKeyAWHOLVHLLXJLPJ-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

2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
CID 83852195
4-(bromomethyl)-2,6-ditert-butylpyridine
CID 12930888
2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
6-tert-butyl-3-fluoro-2,4-dimethylpyridine
CID 126493101
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582470
4,6-ditert-butylpyridin-2-amine
CID 166788497
4-tert-butyl-6-methylpyrimidine-2-carbaldehyde
CID 116894351
2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
CID 63321483
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758
4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine
CID 86020571
6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane
CID 143133906

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2-methylpyrimidine;ethane?
The IUPAC name of 4,6-ditert-butyl-2-methylpyrimidine;ethane (CID 144567554) is 4,6-ditert-butyl-2-methylpyrimidine;ethane.
What is the SMILES notation for 4,6-ditert-butyl-2-methylpyrimidine;ethane?
The canonical SMILES for 4,6-ditert-butyl-2-methylpyrimidine;ethane is CC.Cc1nc(C(C)(C)C)cc(C(C)(C)C)n1.
What is the InChIKey of 4,6-ditert-butyl-2-methylpyrimidine;ethane?
The InChIKey is AWHOLVHLLXJLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-9-14-10(12(2,3)4)8-11(15-9)13(5,6)7;1-2/h8H,1-7H3;1-2H3.
What are the key properties of 4,6-ditert-butyl-2-methylpyrimidine;ethane?
4,6-ditert-butyl-2-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 4,6-ditert-butyl-2-methylpyrimidine;ethane is sourced from PubChem (CID 144567554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).