2,2,5-trimethyl-1H-pyrimidine

C7H12N2 — CID 89002907

IUPAC2,2,5-trimethyl-1H-pyrimidine
SMILESCC1=CNC(C)(C)N=C1
InChIInChI=1S/C7H12N2/c1-6-4-8-7(2,3)9-5-6/h4-5,8H,1-3H3
InChIKeyPUEBJLVHAUEUKB-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds

About 2,2,5-trimethyl-1H-pyrimidine

2,2,5-trimethyl-1H-pyrimidine (PubChem CID 89002907) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,2,5-trimethyl-1H-pyrimidine.

Molecular Properties

Compound Name2,2,5-trimethyl-1H-pyrimidine
PubChem CID89002907
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,2,5-trimethyl-1H-pyrimidine
SMILESCC1=CNC(C)(C)N=C1
InChIInChI=1S/C7H12N2/c1-6-4-8-7(2,3)9-5-6/h4-5,8H,1-3H3
InChIKeyPUEBJLVHAUEUKB-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1H-pyrimidine?
The IUPAC name of 2,2,5-trimethyl-1H-pyrimidine (CID 89002907) is 2,2,5-trimethyl-1H-pyrimidine.
What is the SMILES notation for 2,2,5-trimethyl-1H-pyrimidine?
The canonical SMILES for 2,2,5-trimethyl-1H-pyrimidine is CC1=CNC(C)(C)N=C1.
What is the InChIKey of 2,2,5-trimethyl-1H-pyrimidine?
The InChIKey is PUEBJLVHAUEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-8-7(2,3)9-5-6/h4-5,8H,1-3H3.
What are the key properties of 2,2,5-trimethyl-1H-pyrimidine?
2,2,5-trimethyl-1H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1H-pyrimidine is sourced from PubChem (CID 89002907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).