1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine

C9H11N3 — CID 139474062

IUPAC1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine
SMILESC=Cc1c(C)ncnc1/C=N/C
InChIInChI=1S/C9H11N3/c1-4-8-7(2)11-6-12-9(8)5-10-3/h4-6H,1H2,2-3H3/b10-5+
InChIKeyCAFQELBLIZZXSS-BJMVGYQFSA-N
MW161.21 g/mol
LogP1.48
Rot. Bonds2

About 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine

1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine (PubChem CID 139474062) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine
PubChem CID139474062
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine
SMILESC=Cc1c(C)ncnc1/C=N/C
InChIInChI=1S/C9H11N3/c1-4-8-7(2)11-6-12-9(8)5-10-3/h4-6H,1H2,2-3H3/b10-5+
InChIKeyCAFQELBLIZZXSS-BJMVGYQFSA-N
XLogP1.48
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine
CID 145188012
4,5-bis(ethenyl)-6-propan-2-ylpyrimidine
CID 143453413
1-(3-ethenyl-2-pyridinyl)-N-methylmethanimine;propane
CID 178116820
5-ethenyl-4-methyl-1H-pyrimidin-6-one
CID 142197418
5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine
CID 166976487
1-(6-chloropyrimidin-4-yl)-N-methylmethanimine
CID 123901794
5-ethenyl-4,6-dimethylpyridine-3-carbonitrile
CID 166951007
CID 163488204
CID 163488204
1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine
CID 126651808
3-ethenyl-2,4,5,6-tetramethylpyridine
CID 170004195
5,6-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]pyrimidin-4-amine;ethane
CID 143805171
azane;4-chloro-6-ethenylpyrimidine
CID 175485359

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine?
The IUPAC name of 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine (CID 139474062) is 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine?
The canonical SMILES for 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine is C=Cc1c(C)ncnc1/C=N/C.
What is the InChIKey of 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine?
The InChIKey is CAFQELBLIZZXSS-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H11N3/c1-4-8-7(2)11-6-12-9(8)5-10-3/h4-6H,1H2,2-3H3/b10-5+.
What are the key properties of 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine?
1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine has a molecular weight of 161.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine is sourced from PubChem (CID 139474062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).