N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium

C15H18FN4Y- — CID 59879787

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
SMILESCc1nc(NC(C)c2ccc(F)cc2)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C15H18FN4.Y/c1-9(2)14-18-11(4)19-15(20-14)17-10(3)12-5-7-13(16)8-6-12;/h5-8,10H,1-4H3,(H,17,18,19,20);/q-1;
InChIKeyCPVWFMOKEWJZKO-UHFFFAOYSA-N
MW362.24 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium

N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium (PubChem CID 59879787) has the molecular formula C15H18FN4Y- and a molecular weight of 362.24 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
PubChem CID59879787
Molecular FormulaC15H18FN4Y-
Molecular Weight362.24 g/mol
Exact Mass362.06
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
SMILESCc1nc(NC(C)c2ccc(F)cc2)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C15H18FN4.Y/c1-9(2)14-18-11(4)19-15(20-14)17-10(3)12-5-7-13(16)8-6-12;/h5-8,10H,1-4H3,(H,17,18,19,20);/q-1;
InChIKeyCPVWFMOKEWJZKO-UHFFFAOYSA-N
XLogP3.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879759
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80784400
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylquinazoline-6,7-diol;methane
CID 167597464
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181525
4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 62858377
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 171059256

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium (CID 59879787) is N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium is Cc1nc(NC(C)c2ccc(F)cc2)nc([C-](C)C)n1.[Y].
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The InChIKey is CPVWFMOKEWJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN4.Y/c1-9(2)14-18-11(4)19-15(20-14)17-10(3)12-5-7-13(16)8-6-12;/h5-8,10H,1-4H3,(H,17,18,19,20);/q-1;.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium has a molecular weight of 362.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium is sourced from PubChem (CID 59879787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).