5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

C23H30ClF2N5O2 — CID 165385571

IUPAC5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFC(F)CNC1CCC(COc2nc(Nc3cccc(N4CCOCC4)c3)ncc2Cl)CC1
InChIInChI=1S/C23H30ClF2N5O2/c24-20-13-28-23(29-18-2-1-3-19(12-18)31-8-10-32-11-9-31)30-22(20)33-15-16-4-6-17(7-5-16)27-14-21(25)26/h1-3,12-13,16-17,21,27H,4-11,14-15H2,(H,28,29,30)
InChIKeyQWUPGRUKHUMLKK-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.50
Rot. Bonds9

About 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 165385571) has the molecular formula C23H30ClF2N5O2 and a molecular weight of 481.98 g/mol. Its IUPAC name is 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID165385571
Molecular FormulaC23H30ClF2N5O2
Molecular Weight481.98 g/mol
Exact Mass481.21
IUPAC Name5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFC(F)CNC1CCC(COc2nc(Nc3cccc(N4CCOCC4)c3)ncc2Cl)CC1
InChIInChI=1S/C23H30ClF2N5O2/c24-20-13-28-23(29-18-2-1-3-19(12-18)31-8-10-32-11-9-31)30-22(20)33-15-16-4-6-17(7-5-16)27-14-21(25)26/h1-3,12-13,16-17,21,27H,4-11,14-15H2,(H,28,29,30)
InChIKeyQWUPGRUKHUMLKK-UHFFFAOYSA-N
XLogP4.50
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
CID 175805445
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[1-(1,1,1-trifluoropropan-2-ylamino)piperidin-4-yl]methoxy]pyrimidin-2-amine
CID 167346795
N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 114064576
5-[4-(3-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118979166
4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
4-(3-aminophenoxy)-5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 141326176
1-(cyclopropylmethyl)-N-(3-morpholin-4-ylphenyl)imidazo[4,5-c]pyridin-6-amine
CID 162649953
N-[4-chloro-3-[2-(3-morpholin-4-ylanilino)-5-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361394

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 165385571) is 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is FC(F)CNC1CCC(COc2nc(Nc3cccc(N4CCOCC4)c3)ncc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is QWUPGRUKHUMLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClF2N5O2/c24-20-13-28-23(29-18-2-1-3-19(12-18)31-8-10-32-11-9-31)30-22(20)33-15-16-4-6-17(7-5-16)27-14-21(25)26/h1-3,12-13,16-17,21,27H,4-11,14-15H2,(H,28,29,30).
What are the key properties of 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 481.98 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 165385571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).