1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine

C12H20N2 — CID 58821063

IUPAC1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine
SMILESC=C1N=C(C)C(C)=C(C)N1C(C)(C)C
InChIInChI=1S/C12H20N2/c1-8-9(2)13-11(4)14(10(8)3)12(5,6)7/h4H2,1-3,5-7H3
InChIKeyWFIHSLQAXRHZEE-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.33
Rot. Bonds

About 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine

1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine (PubChem CID 58821063) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine
PubChem CID58821063
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine
SMILESC=C1N=C(C)C(C)=C(C)N1C(C)(C)C
InChIInChI=1S/C12H20N2/c1-8-9(2)13-11(4)14(10(8)3)12(5,6)7/h4H2,1-3,5-7H3
InChIKeyWFIHSLQAXRHZEE-UHFFFAOYSA-N
XLogP3.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine?
The IUPAC name of 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine (CID 58821063) is 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine.
What is the SMILES notation for 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine?
The canonical SMILES for 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine is C=C1N=C(C)C(C)=C(C)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine?
The InChIKey is WFIHSLQAXRHZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-9(2)13-11(4)14(10(8)3)12(5,6)7/h4H2,1-3,5-7H3.
What are the key properties of 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine?
1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5,6-trimethyl-2-methylidenepyrimidine is sourced from PubChem (CID 58821063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).