6-tert-butyl-2-methylidene-1H-pyrimidine

C9H14N2 — CID 118445529

IUPAC6-tert-butyl-2-methylidene-1H-pyrimidine
SMILESC=C1N=CC=C(C(C)(C)C)N1
InChIInChI=1S/C9H14N2/c1-7-10-6-5-8(11-7)9(2,3)4/h5-6,11H,1H2,2-4H3
InChIKeyKJKLTKQOJUWOFM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds

About 6-tert-butyl-2-methylidene-1H-pyrimidine

6-tert-butyl-2-methylidene-1H-pyrimidine (PubChem CID 118445529) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-tert-butyl-2-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-methylidene-1H-pyrimidine
PubChem CID118445529
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-tert-butyl-2-methylidene-1H-pyrimidine
SMILESC=C1N=CC=C(C(C)(C)C)N1
InChIInChI=1S/C9H14N2/c1-7-10-6-5-8(11-7)9(2,3)4/h5-6,11H,1H2,2-4H3
InChIKeyKJKLTKQOJUWOFM-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylidene-1H-pyrimidine?
The IUPAC name of 6-tert-butyl-2-methylidene-1H-pyrimidine (CID 118445529) is 6-tert-butyl-2-methylidene-1H-pyrimidine.
What is the SMILES notation for 6-tert-butyl-2-methylidene-1H-pyrimidine?
The canonical SMILES for 6-tert-butyl-2-methylidene-1H-pyrimidine is C=C1N=CC=C(C(C)(C)C)N1.
What is the InChIKey of 6-tert-butyl-2-methylidene-1H-pyrimidine?
The InChIKey is KJKLTKQOJUWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-10-6-5-8(11-7)9(2,3)4/h5-6,11H,1H2,2-4H3.
What are the key properties of 6-tert-butyl-2-methylidene-1H-pyrimidine?
6-tert-butyl-2-methylidene-1H-pyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylidene-1H-pyrimidine is sourced from PubChem (CID 118445529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).