1,2,4,5,6,6-hexamethylpyrimidine

C10H18N2 — CID 22086595

IUPAC1,2,4,5,6,6-hexamethylpyrimidine
SMILESCC1=NC(C)=C(C)C(C)(C)N1C
InChIInChI=1S/C10H18N2/c1-7-8(2)11-9(3)12(6)10(7,4)5/h1-6H3
InChIKeyYSVDWVPVHXQBTG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds

About 1,2,4,5,6,6-hexamethylpyrimidine

1,2,4,5,6,6-hexamethylpyrimidine (PubChem CID 22086595) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2,4,5,6,6-hexamethylpyrimidine.

Molecular Properties

Compound Name1,2,4,5,6,6-hexamethylpyrimidine
PubChem CID22086595
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2,4,5,6,6-hexamethylpyrimidine
SMILESCC1=NC(C)=C(C)C(C)(C)N1C
InChIInChI=1S/C10H18N2/c1-7-8(2)11-9(3)12(6)10(7,4)5/h1-6H3
InChIKeyYSVDWVPVHXQBTG-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,6-hexamethylpyrimidine?
The IUPAC name of 1,2,4,5,6,6-hexamethylpyrimidine (CID 22086595) is 1,2,4,5,6,6-hexamethylpyrimidine.
What is the SMILES notation for 1,2,4,5,6,6-hexamethylpyrimidine?
The canonical SMILES for 1,2,4,5,6,6-hexamethylpyrimidine is CC1=NC(C)=C(C)C(C)(C)N1C.
What is the InChIKey of 1,2,4,5,6,6-hexamethylpyrimidine?
The InChIKey is YSVDWVPVHXQBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-8(2)11-9(3)12(6)10(7,4)5/h1-6H3.
What are the key properties of 1,2,4,5,6,6-hexamethylpyrimidine?
1,2,4,5,6,6-hexamethylpyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,6-hexamethylpyrimidine is sourced from PubChem (CID 22086595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).