N,1,6-trimethylpyrimidin-2-imine

C7H11N3 — CID 135258657

IUPACN,1,6-trimethylpyrimidin-2-imine
SMILESC/N=c1\nccc(C)n1C
InChIInChI=1S/C7H11N3/c1-6-4-5-9-7(8-2)10(6)3/h4-5H,1-3H3/b8-7+
InChIKeyTVFKOGWVUNIHAG-BQYQJAHWSA-N
MW137.19 g/mol
LogP0.26
Rot. Bonds

About N,1,6-trimethylpyrimidin-2-imine

N,1,6-trimethylpyrimidin-2-imine (PubChem CID 135258657) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N,1,6-trimethylpyrimidin-2-imine.

Molecular Properties

Compound NameN,1,6-trimethylpyrimidin-2-imine
PubChem CID135258657
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN,1,6-trimethylpyrimidin-2-imine
SMILESC/N=c1\nccc(C)n1C
InChIInChI=1S/C7H11N3/c1-6-4-5-9-7(8-2)10(6)3/h4-5H,1-3H3/b8-7+
InChIKeyTVFKOGWVUNIHAG-BQYQJAHWSA-N
XLogP0.26
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1,6-trimethylpyrimidin-2-imine?
The IUPAC name of N,1,6-trimethylpyrimidin-2-imine (CID 135258657) is N,1,6-trimethylpyrimidin-2-imine.
What is the SMILES notation for N,1,6-trimethylpyrimidin-2-imine?
The canonical SMILES for N,1,6-trimethylpyrimidin-2-imine is C/N=c1\nccc(C)n1C.
What is the InChIKey of N,1,6-trimethylpyrimidin-2-imine?
The InChIKey is TVFKOGWVUNIHAG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-4-5-9-7(8-2)10(6)3/h4-5H,1-3H3/b8-7+.
What are the key properties of N,1,6-trimethylpyrimidin-2-imine?
N,1,6-trimethylpyrimidin-2-imine has a molecular weight of 137.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,6-trimethylpyrimidin-2-imine is sourced from PubChem (CID 135258657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).