4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium

C13H13N2OY- — CID 148962655

IUPAC4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
SMILES[CH2-]c1cc(C)nc(-c2ccc(OC)cc2)n1.[Y]
InChIInChI=1S/C13H13N2O.Y/c1-9-8-10(2)15-13(14-9)11-4-6-12(16-3)7-5-11;/h4-8H,1H2,2-3H3;/q-1;
InChIKeyLESQPJIUXBUBSE-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.64
Rot. Bonds2

About 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium

4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium (PubChem CID 148962655) has the molecular formula C13H13N2OY- and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium.

Molecular Properties

Compound Name4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
PubChem CID148962655
Molecular FormulaC13H13N2OY-
Molecular Weight302.17 g/mol
Exact Mass302.01
IUPAC Name4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
SMILES[CH2-]c1cc(C)nc(-c2ccc(OC)cc2)n1.[Y]
InChIInChI=1S/C13H13N2O.Y/c1-9-8-10(2)15-13(14-9)11-4-6-12(16-3)7-5-11;/h4-8H,1H2,2-3H3;/q-1;
InChIKeyLESQPJIUXBUBSE-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
CID 102184443
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 53214856
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
1-(113C)methoxy-4-methylbenzene
CID 166176950
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805

Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium?
The IUPAC name of 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium (CID 148962655) is 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium.
What is the SMILES notation for 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium?
The canonical SMILES for 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium is [CH2-]c1cc(C)nc(-c2ccc(OC)cc2)n1.[Y].
What is the InChIKey of 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium?
The InChIKey is LESQPJIUXBUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O.Y/c1-9-8-10(2)15-13(14-9)11-4-6-12(16-3)7-5-11;/h4-8H,1H2,2-3H3;/q-1;.
What are the key properties of 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium?
4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium has a molecular weight of 302.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium is sourced from PubChem (CID 148962655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).