(1,4,6-trimethylpyrimidin-2-ylidene)methanimine

C8H11N3 — CID 23423845

IUPAC(1,4,6-trimethylpyrimidin-2-ylidene)methanimine
SMILESCC1=CC(C)=NC(=C=N)N1C
InChIInChI=1S/C8H11N3/c1-6-4-7(2)11(3)8(5-9)10-6/h4,9H,1-3H3
InChIKeyGRVQGVSOAWAIAO-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.39
Rot. Bonds

About (1,4,6-trimethylpyrimidin-2-ylidene)methanimine

(1,4,6-trimethylpyrimidin-2-ylidene)methanimine (PubChem CID 23423845) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (1,4,6-trimethylpyrimidin-2-ylidene)methanimine.

Molecular Properties

Compound Name(1,4,6-trimethylpyrimidin-2-ylidene)methanimine
PubChem CID23423845
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(1,4,6-trimethylpyrimidin-2-ylidene)methanimine
SMILESCC1=CC(C)=NC(=C=N)N1C
InChIInChI=1S/C8H11N3/c1-6-4-7(2)11(3)8(5-9)10-6/h4,9H,1-3H3
InChIKeyGRVQGVSOAWAIAO-UHFFFAOYSA-N
XLogP1.39
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4,6-Trimethyl-2-thiopyrimidine
CID 191485
2(1H)-Pyrimidinimine, 1,4,6-trimethyl-
CID 12223743
4,6-Dimethyl-2-dihydropyrimidine
CID 22227977
1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
1,3,4,6-Tetramethylpyrimidin-1-ium-2-thione
CID 12097270
4,6-Dimethyl-1-mercaptopyrimidine
CID 18756213
4,6-dimethyl-2-methylidene-1H-pyrimidine
CID 20626790
1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
CID 21342158
2,4,6-Trimethyl-1,2-dihydropyrimidine
CID 22901851
1,4,6-trimethyl-2H-pyrimidine
CID 53786617
1,4,5,6-Tetramethyl-2-methylidenepyrimidine
CID 58719988
4-Chloro-6-ethyl-1-methyl-2-methylidenepyrimidine
CID 90990494

Frequently Asked Questions

What is the IUPAC name of (1,4,6-trimethylpyrimidin-2-ylidene)methanimine?
The IUPAC name of (1,4,6-trimethylpyrimidin-2-ylidene)methanimine (CID 23423845) is (1,4,6-trimethylpyrimidin-2-ylidene)methanimine.
What is the SMILES notation for (1,4,6-trimethylpyrimidin-2-ylidene)methanimine?
The canonical SMILES for (1,4,6-trimethylpyrimidin-2-ylidene)methanimine is CC1=CC(C)=NC(=C=N)N1C.
What is the InChIKey of (1,4,6-trimethylpyrimidin-2-ylidene)methanimine?
The InChIKey is GRVQGVSOAWAIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-4-7(2)11(3)8(5-9)10-6/h4,9H,1-3H3.
What are the key properties of (1,4,6-trimethylpyrimidin-2-ylidene)methanimine?
(1,4,6-trimethylpyrimidin-2-ylidene)methanimine has a molecular weight of 149.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,6-trimethylpyrimidin-2-ylidene)methanimine is sourced from PubChem (CID 23423845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).