1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide

C8H12N2 — CID 20800963

IUPAC1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
SMILESCc1n[c-][n+](C)c(C)c1C
InChIInChI=1S/C8H12N2/c1-6-7(2)9-5-10(4)8(6)3/h1-4H3
InChIKeyYWRCCJTWIRZTLT-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.63
Rot. Bonds

About 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide

1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide (PubChem CID 20800963) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide.

Molecular Properties

Compound Name1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
PubChem CID20800963
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
SMILESCc1n[c-][n+](C)c(C)c1C
InChIInChI=1S/C8H12N2/c1-6-7(2)9-5-10(4)8(6)3/h1-4H3
InChIKeyYWRCCJTWIRZTLT-UHFFFAOYSA-N
XLogP0.63
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
4,5,6-trimethyl-2H-pyrimidin-2-ide;tetrakis(yttrium)
CID 58106162
carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 58651167
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
1,3,4,5,6-Pentamethylpyrimidin-1-ium-6-ide
CID 59599961
1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)
CID 59997626
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;yttrium
CID 60010075
4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 60010076
1,4,5,6-Tetramethylpyrimidin-2-imine
CID 123409104
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
(Z)-N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 158684499
methane;(Z)-N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 160978603

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide?
The IUPAC name of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide (CID 20800963) is 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide.
What is the SMILES notation for 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide?
The canonical SMILES for 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide is Cc1n[c-][n+](C)c(C)c1C.
What is the InChIKey of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide?
The InChIKey is YWRCCJTWIRZTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-7(2)9-5-10(4)8(6)3/h1-4H3.
What are the key properties of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide?
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide has a molecular weight of 136.20 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide is sourced from PubChem (CID 20800963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).