1,3,4,6-tetramethyl-2H-pyrimidin-3-ium

C8H15N2+ — CID 21342158

IUPAC1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
SMILESCC1=CC(C)=[N+](C)CN1C
InChIInChI=1S/C8H15N2/c1-7-5-8(2)10(4)6-9(7)3/h5H,6H2,1-4H3/q+1
InChIKeySVPBUCAOMUGJHA-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.90
Rot. Bonds

About 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium

1,3,4,6-tetramethyl-2H-pyrimidin-3-ium (PubChem CID 21342158) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
PubChem CID21342158
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
SMILESCC1=CC(C)=[N+](C)CN1C
InChIInChI=1S/C8H15N2/c1-7-5-8(2)10(4)6-9(7)3/h5H,6H2,1-4H3/q+1
InChIKeySVPBUCAOMUGJHA-UHFFFAOYSA-N
XLogP0.90
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4,6-Trimethyl-2-thiopyrimidine
CID 191485
1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine
CID 135245483
1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one
CID 853470
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one chloride
CID 12097241
1,3,4,6-Tetramethylpyrimidin-1-ium-2-thione chloride
CID 12097269
1,3,4,6-Tetramethylpyrimidin-1-ium-2-thione
CID 12097270
1,3-Diethyl-4,6-dimethylpyrimidin-1-ium-2-thione
CID 12097272
4,6-Dimethyl-1-methylthiopyrimidine
CID 18756205
4,6-Dimethyl-1-mercaptopyrimidine
CID 18756213
1,4,6-trimethyl-2H-pyrimidine
CID 53786617
1,4,5,6-Tetramethyl-2-methylidenepyrimidine
CID 58719988

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium?
The IUPAC name of 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium (CID 21342158) is 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium.
What is the SMILES notation for 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium?
The canonical SMILES for 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium is CC1=CC(C)=[N+](C)CN1C.
What is the InChIKey of 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium?
The InChIKey is SVPBUCAOMUGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-7-5-8(2)10(4)6-9(7)3/h5H,6H2,1-4H3/q+1.
What are the key properties of 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium?
1,3,4,6-tetramethyl-2H-pyrimidin-3-ium has a molecular weight of 139.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethyl-2H-pyrimidin-3-ium is sourced from PubChem (CID 21342158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).