5-tert-butyl-1-methyl-2-methylidenepyrimidine

C10H16N2 — CID 58499035

IUPAC5-tert-butyl-1-methyl-2-methylidenepyrimidine
SMILESC=C1N=CC(C(C)(C)C)=CN1C
InChIInChI=1S/C10H16N2/c1-8-11-6-9(7-12(8)5)10(2,3)4/h6-7H,1H2,2-5H3
InChIKeyKXFCZFLOSTYYHR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds

About 5-tert-butyl-1-methyl-2-methylidenepyrimidine

5-tert-butyl-1-methyl-2-methylidenepyrimidine (PubChem CID 58499035) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-2-methylidenepyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-2-methylidenepyrimidine
PubChem CID58499035
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-tert-butyl-1-methyl-2-methylidenepyrimidine
SMILESC=C1N=CC(C(C)(C)C)=CN1C
InChIInChI=1S/C10H16N2/c1-8-11-6-9(7-12(8)5)10(2,3)4/h6-7H,1H2,2-5H3
InChIKeyKXFCZFLOSTYYHR-UHFFFAOYSA-N
XLogP2.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-2-methylidenepyrimidine?
The IUPAC name of 5-tert-butyl-1-methyl-2-methylidenepyrimidine (CID 58499035) is 5-tert-butyl-1-methyl-2-methylidenepyrimidine.
What is the SMILES notation for 5-tert-butyl-1-methyl-2-methylidenepyrimidine?
The canonical SMILES for 5-tert-butyl-1-methyl-2-methylidenepyrimidine is C=C1N=CC(C(C)(C)C)=CN1C.
What is the InChIKey of 5-tert-butyl-1-methyl-2-methylidenepyrimidine?
The InChIKey is KXFCZFLOSTYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-11-6-9(7-12(8)5)10(2,3)4/h6-7H,1H2,2-5H3.
What are the key properties of 5-tert-butyl-1-methyl-2-methylidenepyrimidine?
5-tert-butyl-1-methyl-2-methylidenepyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-2-methylidenepyrimidine is sourced from PubChem (CID 58499035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).