2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium

C14H22IN4Y- — CID 157430590

IUPAC2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium
SMILESC.CI.Cc1ccnc(C)n1.[CH2-]c1ccnc(C)n1.[Y]
InChIInChI=1S/C6H8N2.C6H7N2.CH3I.CH4.Y/c2*1-5-3-4-7-6(2)8-5;1-2;;/h3-4H,1-2H3;3-4H,1H2,2H3;1H3;1H4;/q;-1;;;
InChIKeyIMRCXBYIRCSLSX-UHFFFAOYSA-N
MW462.17 g/mol
LogP3.75
Rot. Bonds

About 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium

2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium (PubChem CID 157430590) has the molecular formula C14H22IN4Y- and a molecular weight of 462.17 g/mol. Its IUPAC name is 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium.

Molecular Properties

Compound Name2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium
PubChem CID157430590
Molecular FormulaC14H22IN4Y-
Molecular Weight462.17 g/mol
Exact Mass462.00
IUPAC Name2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium
SMILESC.CI.Cc1ccnc(C)n1.[CH2-]c1ccnc(C)n1.[Y]
InChIInChI=1S/C6H8N2.C6H7N2.CH3I.CH4.Y/c2*1-5-3-4-7-6(2)8-5;1-2;;/h3-4H,1-2H3;3-4H,1H2,2H3;1H3;1H4;/q;-1;;;
InChIKeyIMRCXBYIRCSLSX-UHFFFAOYSA-N
XLogP3.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.17
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159996355
CID 159996355
2,4-dimethylpyrimidine;toluene
CID 142206905
CID 159109236
CID 159109236
2-(bromomethyl)-4-methylpyrimidine
CID 86070948
bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine
CID 158582410
4-methyl-N,N-bis(sulfanyl)pyrimidin-2-amine
CID 89307492
2-but-2-ynoxy-4-methylpyrimidine
CID 126954199
2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
CID 160979837
2-(4-methylpyrimidin-2-yl)-1,3-oxazole
CID 21025912
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine
CID 144817888

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium?
The IUPAC name of 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium (CID 157430590) is 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium.
What is the SMILES notation for 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium?
The canonical SMILES for 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium is C.CI.Cc1ccnc(C)n1.[CH2-]c1ccnc(C)n1.[Y].
What is the InChIKey of 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium?
The InChIKey is IMRCXBYIRCSLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C6H7N2.CH3I.CH4.Y/c2*1-5-3-4-7-6(2)8-5;1-2;;/h3-4H,1-2H3;3-4H,1H2,2H3;1H3;1H4;/q;-1;;;.
What are the key properties of 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium?
2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium has a molecular weight of 462.17 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium is sourced from PubChem (CID 157430590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).