1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium

C9H15N2+ — CID 123739476

IUPAC1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium
SMILESC=C1N(C)C(C)=CC(C)=[N+]1C
InChIInChI=1S/C9H15N2/c1-7-6-8(2)11(5)9(3)10(7)4/h6H,3H2,1-2,4-5H3/q+1
InChIKeySPHRZLRNWXZKKF-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.41
Rot. Bonds

About 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium

1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium (PubChem CID 123739476) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium
PubChem CID123739476
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium
SMILESC=C1N(C)C(C)=CC(C)=[N+]1C
InChIInChI=1S/C9H15N2/c1-7-6-8(2)11(5)9(3)10(7)4/h6H,3H2,1-2,4-5H3/q+1
InChIKeySPHRZLRNWXZKKF-UHFFFAOYSA-N
XLogP1.41
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.41
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
1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
CID 21342158
1,4,6-trimethyl-2H-pyrimidine
CID 53786617

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium?
The IUPAC name of 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium (CID 123739476) is 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium.
What is the SMILES notation for 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium?
The canonical SMILES for 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium is C=C1N(C)C(C)=CC(C)=[N+]1C.
What is the InChIKey of 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium?
The InChIKey is SPHRZLRNWXZKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-7-6-8(2)11(5)9(3)10(7)4/h6H,3H2,1-2,4-5H3/q+1.
What are the key properties of 1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium?
1,3,4,6-tetramethyl-2-methylidenepyrimidin-1-ium has a molecular weight of 151.23 g/mol, XLogP of 1.41, 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-2-methylidenepyrimidin-1-ium is sourced from PubChem (CID 123739476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).