1-tert-butyl-4-methylidenepyrimidine

C9H14N2 — CID 59212616

IUPAC1-tert-butyl-4-methylidenepyrimidine
SMILESC=C1C=CN(C(C)(C)C)C=N1
InChIInChI=1S/C9H14N2/c1-8-5-6-11(7-10-8)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyQJEXGJBOEMAZID-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds

About 1-tert-butyl-4-methylidenepyrimidine

1-tert-butyl-4-methylidenepyrimidine (PubChem CID 59212616) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-tert-butyl-4-methylidenepyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylidenepyrimidine
PubChem CID59212616
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-tert-butyl-4-methylidenepyrimidine
SMILESC=C1C=CN(C(C)(C)C)C=N1
InChIInChI=1S/C9H14N2/c1-8-5-6-11(7-10-8)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyQJEXGJBOEMAZID-UHFFFAOYSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
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-methylidenepyrimidine?
The IUPAC name of 1-tert-butyl-4-methylidenepyrimidine (CID 59212616) is 1-tert-butyl-4-methylidenepyrimidine.
What is the SMILES notation for 1-tert-butyl-4-methylidenepyrimidine?
The canonical SMILES for 1-tert-butyl-4-methylidenepyrimidine is C=C1C=CN(C(C)(C)C)C=N1.
What is the InChIKey of 1-tert-butyl-4-methylidenepyrimidine?
The InChIKey is QJEXGJBOEMAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-5-6-11(7-10-8)9(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 1-tert-butyl-4-methylidenepyrimidine?
1-tert-butyl-4-methylidenepyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.16, 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-methylidenepyrimidine is sourced from PubChem (CID 59212616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).