2,3,5-trimethylpyrimidin-4-imine

C7H11N3 — CID 134868678

IUPAC2,3,5-trimethylpyrimidin-4-imine
SMILES[H]/N=c1\c(C)cnc(C)n1C
InChIInChI=1S/C7H11N3/c1-5-4-9-6(2)10(3)7(5)8/h4,8H,1-3H3/b8-7+
InChIKeySSBRHHYQHBLXLC-BQYQJAHWSA-N
MW137.19 g/mol
LogP0.52
Rot. Bonds

About 2,3,5-trimethylpyrimidin-4-imine

2,3,5-trimethylpyrimidin-4-imine (PubChem CID 134868678) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,3,5-trimethylpyrimidin-4-imine.

Molecular Properties

Compound Name2,3,5-trimethylpyrimidin-4-imine
PubChem CID134868678
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,3,5-trimethylpyrimidin-4-imine
SMILES[H]/N=c1\c(C)cnc(C)n1C
InChIInChI=1S/C7H11N3/c1-5-4-9-6(2)10(3)7(5)8/h4,8H,1-3H3/b8-7+
InChIKeySSBRHHYQHBLXLC-BQYQJAHWSA-N
XLogP0.52
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylpyrimidin-4-imine?
The IUPAC name of 2,3,5-trimethylpyrimidin-4-imine (CID 134868678) is 2,3,5-trimethylpyrimidin-4-imine.
What is the SMILES notation for 2,3,5-trimethylpyrimidin-4-imine?
The canonical SMILES for 2,3,5-trimethylpyrimidin-4-imine is [H]/N=c1\c(C)cnc(C)n1C.
What is the InChIKey of 2,3,5-trimethylpyrimidin-4-imine?
The InChIKey is SSBRHHYQHBLXLC-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-4-9-6(2)10(3)7(5)8/h4,8H,1-3H3/b8-7+.
What are the key properties of 2,3,5-trimethylpyrimidin-4-imine?
2,3,5-trimethylpyrimidin-4-imine has a molecular weight of 137.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylpyrimidin-4-imine is sourced from PubChem (CID 134868678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).