(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride

C9H16ClN3O — CID 13392681

IUPAC(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride
SMILESCOc1cc(C)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C9H16N3O.ClH/c1-7-6-8(13-5)11-9(10-7)12(2,3)4;/h6H,1-5H3;1H/q+1;/p-1
InChIKeyXOGTUYMQZIFBMO-UHFFFAOYSA-M
MW217.70 g/mol
LogP-2.01
Rot. Bonds2

About (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride

(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride (PubChem CID 13392681) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride.

Molecular Properties

Compound Name(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride
PubChem CID13392681
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride
SMILESCOc1cc(C)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C9H16N3O.ClH/c1-7-6-8(13-5)11-9(10-7)12(2,3)4;/h6H,1-5H3;1H/q+1;/p-1
InChIKeyXOGTUYMQZIFBMO-UHFFFAOYSA-M
XLogP-2.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829
2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile
CID 130524058
4-(1-bromoethyl)-2-methoxy-6-methylpyridine
CID 146278364
4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole
CID 2745334
4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
CID 3242
4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
CID 13302362
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid
CID 142728980
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-sulfanylpropan-2-one
CID 58139196
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride?
The IUPAC name of (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride (CID 13392681) is (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride.
What is the SMILES notation for (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride?
The canonical SMILES for (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride is COc1cc(C)nc([N+](C)(C)C)n1.[Cl-].
What is the InChIKey of (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride?
The InChIKey is XOGTUYMQZIFBMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N3O.ClH/c1-7-6-8(13-5)11-9(10-7)12(2,3)4;/h6H,1-5H3;1H/q+1;/p-1.
What are the key properties of (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride?
(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride has a molecular weight of 217.70 g/mol, XLogP of -2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride is sourced from PubChem (CID 13392681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).