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

C22H30FN5O2 — CID 165385739

IUPAC5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCNC1CCC(COc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)CC1
InChIInChI=1S/C22H30FN5O2/c1-24-17-4-2-16(3-5-17)15-30-21-20(23)14-25-22(27-21)26-18-6-8-19(9-7-18)28-10-12-29-13-11-28/h6-9,14,16-17,24H,2-5,10-13,15H2,1H3,(H,25,26,27)
InChIKeyIVGSKPBGYDZFDP-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.35
Rot. Bonds7

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

5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 165385739) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID165385739
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCNC1CCC(COc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)CC1
InChIInChI=1S/C22H30FN5O2/c1-24-17-4-2-16(3-5-17)15-30-21-20(23)14-25-22(27-21)26-18-6-8-19(9-7-18)28-10-12-29-13-11-28/h6-9,14,16-17,24H,2-5,10-13,15H2,1H3,(H,25,26,27)
InChIKeyIVGSKPBGYDZFDP-UHFFFAOYSA-N
XLogP3.35
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
CID 175805445
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-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
4-[(3,3-difluoropiperidin-4-yl)methoxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385913
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
5-chloro-4-[[4-(2,2-difluoroethylamino)cyclohexyl]methoxy]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385571
2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
CID 165385737
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
2-[3-[[5-fluoro-4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729110

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 165385739) is 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is CNC1CCC(COc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)CC1.
What is the InChIKey of 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is IVGSKPBGYDZFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-24-17-4-2-16(3-5-17)15-30-21-20(23)14-25-22(27-21)26-18-6-8-19(9-7-18)28-10-12-29-13-11-28/h6-9,14,16-17,24H,2-5,10-13,15H2,1H3,(H,25,26,27).
What are the key properties of 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 415.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 165385739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).