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'}

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Related Compounds

1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
2-bromo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108766928
N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25138217
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67251720
N-[2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 25138206
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
CID 11209329

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).