N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C21H17F3N4 — CID 143320837

IUPACN-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILES[H]/N=C/C1Cc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2C1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)17-4-1-14(2-5-17)19-10-20(27-12-26-19)28-18-6-3-15-7-13(11-25)8-16(15)9-18/h1-6,9-13,25H,7-8H2,(H,26,27,28)/b25-11+
InChIKeyYAHPBIYALCVEGA-OPEKNORGSA-N
MW382.39 g/mol
LogP5.27
Rot. Bonds4

About N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 143320837) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID143320837
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC NameN-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILES[H]/N=C/C1Cc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2C1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)17-4-1-14(2-5-17)19-10-20(27-12-26-19)28-18-6-3-15-7-13(11-25)8-16(15)9-18/h1-6,9-13,25H,7-8H2,(H,26,27,28)/b25-11+
InChIKeyYAHPBIYALCVEGA-OPEKNORGSA-N
XLogP5.27
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58734200
7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one
CID 10045425
N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10381898
(2S)-5-[[6-[2-(cyclohexylmethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol;(2R)-5-[[6-[2-(cyclohexylmethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 162125138
(2R)-5-chloro-8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol;(2S)-5-chloro-8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 158582338
5-chloro-8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11951378
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
3-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 59982989
N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143320872
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
1-[2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]butan-1-ol
CID 143320878
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350663

Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 143320837) is N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is [H]/N=C/C1Cc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2C1.
What is the InChIKey of N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is YAHPBIYALCVEGA-OPEKNORGSA-N. The full InChI is InChI=1S/C21H17F3N4/c22-21(23,24)17-4-1-14(2-5-17)19-10-20(27-12-26-19)28-18-6-3-15-7-13(11-25)8-16(15)9-18/h1-6,9-13,25H,7-8H2,(H,26,27,28)/b25-11+.
What are the key properties of N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 143320837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).