2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine

C14H26N2 — CID 166711090

IUPAC2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine
SMILESCC1=CC(C(C)(C)C)=NC(C(C)(C)C)N1C
InChIInChI=1S/C14H26N2/c1-10-9-11(13(2,3)4)15-12(16(10)8)14(5,6)7/h9,12H,1-8H3
InChIKeyUCFJYNADAVONFA-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.69
Rot. Bonds

About 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine

2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine (PubChem CID 166711090) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine.

Molecular Properties

Compound Name2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine
PubChem CID166711090
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine
SMILESCC1=CC(C(C)(C)C)=NC(C(C)(C)C)N1C
InChIInChI=1S/C14H26N2/c1-10-9-11(13(2,3)4)15-12(16(10)8)14(5,6)7/h9,12H,1-8H3
InChIKeyUCFJYNADAVONFA-UHFFFAOYSA-N
XLogP3.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine?
The IUPAC name of 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine (CID 166711090) is 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine.
What is the SMILES notation for 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine?
The canonical SMILES for 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine is CC1=CC(C(C)(C)C)=NC(C(C)(C)C)N1C.
What is the InChIKey of 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine?
The InChIKey is UCFJYNADAVONFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10-9-11(13(2,3)4)15-12(16(10)8)14(5,6)7/h9,12H,1-8H3.
What are the key properties of 2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine?
2,4-ditert-butyl-1,6-dimethyl-2H-pyrimidine has a molecular weight of 222.38 g/mol, XLogP of 3.69, 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-1,6-dimethyl-2H-pyrimidine is sourced from PubChem (CID 166711090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).