methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide

C7H11IN2O2 — CID 173297533

IUPACmethyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
SMILESCOC(=O)C1=CN=CN(C)C1.I
InChIInChI=1S/C7H10N2O2.HI/c1-9-4-6(3-8-5-9)7(10)11-2;/h3,5H,4H2,1-2H3;1H
InChIKeyZYSRLEBHAYWJFD-UHFFFAOYSA-N
MW282.08 g/mol
LogP0.63
Rot. Bonds1

About methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide

methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide (PubChem CID 173297533) has the molecular formula C7H11IN2O2 and a molecular weight of 282.08 g/mol. Its IUPAC name is methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide.

Molecular Properties

Compound Namemethyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
PubChem CID173297533
Molecular FormulaC7H11IN2O2
Molecular Weight282.08 g/mol
Exact Mass281.99
IUPAC Namemethyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
SMILESCOC(=O)C1=CN=CN(C)C1.I
InChIInChI=1S/C7H10N2O2.HI/c1-9-4-6(3-8-5-9)7(10)11-2;/h3,5H,4H2,1-2H3;1H
InChIKeyZYSRLEBHAYWJFD-UHFFFAOYSA-N
XLogP0.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 123368742
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methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 58781901
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate
CID 139418915
methyl 4H-quinolizine-3-carboxylate;hydrochloride
CID 175937598
methyl (4aR,7aS)-2-methyl-7-oxo-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
CID 101145399
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
methyl 3-amino-1,2-dihydroimidazole-5-carboxylate
CID 155668932
methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate
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methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 3087494

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide?
The IUPAC name of methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide (CID 173297533) is methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide.
What is the SMILES notation for methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide?
The canonical SMILES for methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide is COC(=O)C1=CN=CN(C)C1.I.
What is the InChIKey of methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide?
The InChIKey is ZYSRLEBHAYWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.HI/c1-9-4-6(3-8-5-9)7(10)11-2;/h3,5H,4H2,1-2H3;1H.
What are the key properties of methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide?
methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide has a molecular weight of 282.08 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide is sourced from PubChem (CID 173297533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).