2,3,4,6-tetramethyl-4H-pyrimidine

C8H14N2 — CID 57268687

IUPAC2,3,4,6-tetramethyl-4H-pyrimidine
SMILESCC1=CC(C)N(C)C(C)=N1
InChIInChI=1S/C8H14N2/c1-6-5-7(2)10(4)8(3)9-6/h5,7H,1-4H3
InChIKeyATKOPTOUIRIDFO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds

About 2,3,4,6-tetramethyl-4H-pyrimidine

2,3,4,6-tetramethyl-4H-pyrimidine (PubChem CID 57268687) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-4H-pyrimidine.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-4H-pyrimidine
PubChem CID57268687
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3,4,6-tetramethyl-4H-pyrimidine
SMILESCC1=CC(C)N(C)C(C)=N1
InChIInChI=1S/C8H14N2/c1-6-5-7(2)10(4)8(3)9-6/h5,7H,1-4H3
InChIKeyATKOPTOUIRIDFO-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 2,3,4,6-tetramethyl-4H-pyrimidine?
The IUPAC name of 2,3,4,6-tetramethyl-4H-pyrimidine (CID 57268687) is 2,3,4,6-tetramethyl-4H-pyrimidine.
What is the SMILES notation for 2,3,4,6-tetramethyl-4H-pyrimidine?
The canonical SMILES for 2,3,4,6-tetramethyl-4H-pyrimidine is CC1=CC(C)N(C)C(C)=N1.
What is the InChIKey of 2,3,4,6-tetramethyl-4H-pyrimidine?
The InChIKey is ATKOPTOUIRIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-5-7(2)10(4)8(3)9-6/h5,7H,1-4H3.
What are the key properties of 2,3,4,6-tetramethyl-4H-pyrimidine?
2,3,4,6-tetramethyl-4H-pyrimidine 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 2,3,4,6-tetramethyl-4H-pyrimidine is sourced from PubChem (CID 57268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).