carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium

C24H37N4Y- — CID 157300828

IUPACcarbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
SMILESCC.CC.CC.Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C17H16N4.3C2H6.CH3.Y/c1-13-12-18-17(20-15-10-6-3-7-11-15)21-16(13)19-14-8-4-2-5-9-14;3*1-2;;/h2-12H,1H3,(H2,18,19,20,21);3*1-2H3;1H3;/q;;;;-1;
InChIKeyHGKFJYDFHBRIEJ-UHFFFAOYSA-N
MW470.49 g/mol
LogP7.80
Rot. Bonds4

About carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium

carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium (PubChem CID 157300828) has the molecular formula C24H37N4Y- and a molecular weight of 470.49 g/mol. Its IUPAC name is carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
PubChem CID157300828
Molecular FormulaC24H37N4Y-
Molecular Weight470.49 g/mol
Exact Mass470.21
IUPAC Namecarbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
SMILESCC.CC.CC.Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C17H16N4.3C2H6.CH3.Y/c1-13-12-18-17(20-15-10-6-3-7-11-15)21-16(13)19-14-8-4-2-5-9-14;3*1-2;;/h2-12H,1H3,(H2,18,19,20,21);3*1-2H3;1H3;/q;;;;-1;
InChIKeyHGKFJYDFHBRIEJ-UHFFFAOYSA-N
XLogP7.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.49
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 59777611
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one
CID 44594831
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
7-[(2-anilino-5-methylpyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one
CID 58956294
2-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 155572683
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenoxy]pent-3-en-2-one
CID 123237874
5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117093089
N-[[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-2-methylprop-2-enamide
CID 174897279

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium?
The IUPAC name of carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium (CID 157300828) is carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium.
What is the SMILES notation for carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium?
The canonical SMILES for carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium is CC.CC.CC.Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium?
The InChIKey is HGKFJYDFHBRIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4.3C2H6.CH3.Y/c1-13-12-18-17(20-15-10-6-3-7-11-15)21-16(13)19-14-8-4-2-5-9-14;3*1-2;;/h2-12H,1H3,(H2,18,19,20,21);3*1-2H3;1H3;/q;;;;-1;.
What are the key properties of carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium?
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium has a molecular weight of 470.49 g/mol, XLogP of 7.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium is sourced from PubChem (CID 157300828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).