1,2,4,4-tetramethylpyrimidine

C8H14N2 — CID 89117597

IUPAC1,2,4,4-tetramethylpyrimidine
SMILESCC1=NC(C)(C)C=CN1C
InChIInChI=1S/C8H14N2/c1-7-9-8(2,3)5-6-10(7)4/h5-6H,1-4H3
InChIKeyXPBZUGCOKSSMFB-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds

About 1,2,4,4-tetramethylpyrimidine

1,2,4,4-tetramethylpyrimidine (PubChem CID 89117597) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2,4,4-tetramethylpyrimidine.

Molecular Properties

Compound Name1,2,4,4-tetramethylpyrimidine
PubChem CID89117597
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2,4,4-tetramethylpyrimidine
SMILESCC1=NC(C)(C)C=CN1C
InChIInChI=1S/C8H14N2/c1-7-9-8(2,3)5-6-10(7)4/h5-6H,1-4H3
InChIKeyXPBZUGCOKSSMFB-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetramethylpyrimidine?
The IUPAC name of 1,2,4,4-tetramethylpyrimidine (CID 89117597) is 1,2,4,4-tetramethylpyrimidine.
What is the SMILES notation for 1,2,4,4-tetramethylpyrimidine?
The canonical SMILES for 1,2,4,4-tetramethylpyrimidine is CC1=NC(C)(C)C=CN1C.
What is the InChIKey of 1,2,4,4-tetramethylpyrimidine?
The InChIKey is XPBZUGCOKSSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-9-8(2,3)5-6-10(7)4/h5-6H,1-4H3.
What are the key properties of 1,2,4,4-tetramethylpyrimidine?
1,2,4,4-tetramethylpyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethylpyrimidine is sourced from PubChem (CID 89117597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).