5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine

C11H18N2 — CID 58763170

IUPAC5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine
SMILESCC1=CN(C(C)C)C(=C(C)C)N=C1
InChIInChI=1S/C11H18N2/c1-8(2)11-12-6-10(5)7-13(11)9(3)4/h6-7,9H,1-5H3
InChIKeyFQJZDYRWOYRZEF-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds1

About 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine

5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine (PubChem CID 58763170) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine
PubChem CID58763170
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine
SMILESCC1=CN(C(C)C)C(=C(C)C)N=C1
InChIInChI=1S/C11H18N2/c1-8(2)11-12-6-10(5)7-13(11)9(3)4/h6-7,9H,1-5H3
InChIKeyFQJZDYRWOYRZEF-UHFFFAOYSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine?
The IUPAC name of 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine (CID 58763170) is 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine.
What is the SMILES notation for 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine?
The canonical SMILES for 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine is CC1=CN(C(C)C)C(=C(C)C)N=C1.
What is the InChIKey of 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine?
The InChIKey is FQJZDYRWOYRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)11-12-6-10(5)7-13(11)9(3)4/h6-7,9H,1-5H3.
What are the key properties of 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine?
5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine is sourced from PubChem (CID 58763170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).