1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium

C7H15N2+ — CID 150196935

IUPAC1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
SMILESCC1=NCCC[N+]1(C)C
InChIInChI=1S/C7H15N2/c1-7-8-5-4-6-9(7,2)3/h4-6H2,1-3H3/q+1
InChIKeyFOQLKKCEUZKQBQ-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.88
Rot. Bonds

About 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium

1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium (PubChem CID 150196935) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium.

Molecular Properties

Compound Name1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
PubChem CID150196935
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
SMILESCC1=NCCC[N+]1(C)C
InChIInChI=1S/C7H15N2/c1-7-8-5-4-6-9(7,2)3/h4-6H2,1-3H3/q+1
InChIKeyFOQLKKCEUZKQBQ-UHFFFAOYSA-N
XLogP0.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate
CID 499193
1,4,5,6-Tetrahydro-1,2,4-trimethylpyrimidine
CID 40795
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
1-Fluoro-2,5,5-trimethyl-4,6-dihydropyrimidine
CID 141967899
(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite
CID 142051036
N,N-Diethyl-N'-propylacetamidine
CID 519058
(CH3)2NC(CH3)=N-(CH2)3N(CH3)2
CID 6432127
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 12860757
N,N-dibutyl-N'-methylethanimidamide
CID 13042442
2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
CID 14457264

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium?
The IUPAC name of 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium (CID 150196935) is 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium.
What is the SMILES notation for 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium?
The canonical SMILES for 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium is CC1=NCCC[N+]1(C)C.
What is the InChIKey of 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium?
The InChIKey is FOQLKKCEUZKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-7-8-5-4-6-9(7,2)3/h4-6H2,1-3H3/q+1.
What are the key properties of 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium?
1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium has a molecular weight of 127.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium is sourced from PubChem (CID 150196935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).