5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine

C22H26F4N4O2 — CID 175805445

IUPAC5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H26F4N4O2/c23-19-13-27-21(28-17-5-7-18(8-6-17)30-9-11-31-12-10-30)29-20(19)32-14-15-1-3-16(4-2-15)22(24,25)26/h5-8,13,15-16H,1-4,9-12,14H2,(H,27,28,29)
InChIKeyGGKGAFBKIAQILK-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.94
Rot. Bonds6

About 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine

5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine (PubChem CID 175805445) has the molecular formula C22H26F4N4O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
PubChem CID175805445
Molecular FormulaC22H26F4N4O2
Molecular Weight454.47 g/mol
Exact Mass454.20
IUPAC Name5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H26F4N4O2/c23-19-13-27-21(28-17-5-7-18(8-6-17)30-9-11-31-12-10-30)29-20(19)32-14-15-1-3-16(4-2-15)22(24,25)26/h5-8,13,15-16H,1-4,9-12,14H2,(H,27,28,29)
InChIKeyGGKGAFBKIAQILK-UHFFFAOYSA-N
XLogP4.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[1-(1,1,1-trifluoropropan-2-ylamino)piperidin-4-yl]methoxy]pyrimidin-2-amine
CID 167346795
4-[(3,3-difluoropiperidin-4-yl)methoxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385913
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
CID 165385737
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805342
5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385571
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
(3S)-1-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 165402838
4-[[5-fluoro-2-[[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385519

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine (CID 175805445) is 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine?
The InChIKey is GGKGAFBKIAQILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O2/c23-19-13-27-21(28-17-5-7-18(8-6-17)30-9-11-31-12-10-30)29-20(19)32-14-15-1-3-16(4-2-15)22(24,25)26/h5-8,13,15-16H,1-4,9-12,14H2,(H,27,28,29).
What are the key properties of 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine?
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine has a molecular weight of 454.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine is sourced from PubChem (CID 175805445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).