4,5,6-tritert-butyl-2-methylpyrimidine

C17H30N2 — CID 21040087

IUPAC4,5,6-tritert-butyl-2-methylpyrimidine
SMILESCc1nc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C17H30N2/c1-11-18-13(16(5,6)7)12(15(2,3)4)14(19-11)17(8,9)10/h1-10H3
InChIKeyNLGHKUQNHKBPDV-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.68
Rot. Bonds

About 4,5,6-tritert-butyl-2-methylpyrimidine

4,5,6-tritert-butyl-2-methylpyrimidine (PubChem CID 21040087) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4,5,6-tritert-butyl-2-methylpyrimidine.

Molecular Properties

Compound Name4,5,6-tritert-butyl-2-methylpyrimidine
PubChem CID21040087
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4,5,6-tritert-butyl-2-methylpyrimidine
SMILESCc1nc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C17H30N2/c1-11-18-13(16(5,6)7)12(15(2,3)4)14(19-11)17(8,9)10/h1-10H3
InChIKeyNLGHKUQNHKBPDV-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tritert-butyl-2-methylpyrimidine?
The IUPAC name of 4,5,6-tritert-butyl-2-methylpyrimidine (CID 21040087) is 4,5,6-tritert-butyl-2-methylpyrimidine.
What is the SMILES notation for 4,5,6-tritert-butyl-2-methylpyrimidine?
The canonical SMILES for 4,5,6-tritert-butyl-2-methylpyrimidine is Cc1nc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 4,5,6-tritert-butyl-2-methylpyrimidine?
The InChIKey is NLGHKUQNHKBPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-11-18-13(16(5,6)7)12(15(2,3)4)14(19-11)17(8,9)10/h1-10H3.
What are the key properties of 4,5,6-tritert-butyl-2-methylpyrimidine?
4,5,6-tritert-butyl-2-methylpyrimidine has a molecular weight of 262.44 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tritert-butyl-2-methylpyrimidine is sourced from PubChem (CID 21040087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).