N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium

C17H14N3Y- — CID 148670419

IUPACN-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium
SMILESCc1[c-]cc(Nc2cc(-c3ccccc3)ncn2)cc1.[Y]
InChIInChI=1S/C17H14N3.Y/c1-13-7-9-15(10-8-13)20-17-11-16(18-12-19-17)14-5-3-2-4-6-14;/h2-7,9-12H,1H3,(H,18,19,20);/q-1;
InChIKeyFTZJLGZURTWVJC-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.99
Rot. Bonds3

About N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium

N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium (PubChem CID 148670419) has the molecular formula C17H14N3Y- and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium.

Molecular Properties

Compound NameN-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium
PubChem CID148670419
Molecular FormulaC17H14N3Y-
Molecular Weight349.23 g/mol
Exact Mass349.03
IUPAC NameN-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium
SMILESCc1[c-]cc(Nc2cc(-c3ccccc3)ncn2)cc1.[Y]
InChIInChI=1S/C17H14N3.Y/c1-13-7-9-15(10-8-13)20-17-11-16(18-12-19-17)14-5-3-2-4-6-14;/h2-7,9-12H,1H3,(H,18,19,20);/q-1;
InChIKeyFTZJLGZURTWVJC-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium?
The IUPAC name of N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium (CID 148670419) is N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium.
What is the SMILES notation for N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium?
The canonical SMILES for N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium is Cc1[c-]cc(Nc2cc(-c3ccccc3)ncn2)cc1.[Y].
What is the InChIKey of N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium?
The InChIKey is FTZJLGZURTWVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N3.Y/c1-13-7-9-15(10-8-13)20-17-11-16(18-12-19-17)14-5-3-2-4-6-14;/h2-7,9-12H,1H3,(H,18,19,20);/q-1;.
What are the key properties of N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium?
N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium has a molecular weight of 349.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium is sourced from PubChem (CID 148670419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).