5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol

C20H16F3N3O — CID 58734200

IUPAC5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2C1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-4-1-12(2-5-15)18-10-19(25-11-24-18)26-16-6-3-13-8-17(27)9-14(13)7-16/h1-7,10-11,17,27H,8-9H2,(H,24,25,26)
InChIKeyNCCGGNIIPRKYPX-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.37
Rot. Bonds3

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

5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 58734200) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID58734200
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2C1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-4-1-12(2-5-15)18-10-19(25-11-24-18)26-16-6-3-13-8-17(27)9-14(13)7-16/h1-7,10-11,17,27H,8-9H2,(H,24,25,26)
InChIKeyNCCGGNIIPRKYPX-UHFFFAOYSA-N
XLogP4.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methanimidoyl-2,3-dihydro-1H-inden-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143320837
(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
7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one
CID 10045425
(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-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
3-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 59982989
N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10381898
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350663
(2S)-4-[[6-[2-(cyclopropylmethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol;(2R)-4-[[6-[2-(cyclopropylmethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 161194061
N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143320872

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 58734200) is 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol is OC1Cc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2C1.
What is the InChIKey of 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is NCCGGNIIPRKYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-1-12(2-5-15)18-10-19(25-11-24-18)26-16-6-3-13-8-17(27)9-14(13)7-16/h1-7,10-11,17,27H,8-9H2,(H,24,25,26).
What are the key properties of 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol?
5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 371.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 58734200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).