5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine

C20H22FN5O — CID 121442465

IUPAC5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
SMILESCc1cc(N)c2c(OC3CCC(Nc4ncc(F)cn4)CC3)cccc2n1
InChIInChI=1S/C20H22FN5O/c1-12-9-16(22)19-17(25-12)3-2-4-18(19)27-15-7-5-14(6-8-15)26-20-23-10-13(21)11-24-20/h2-4,9-11,14-15H,5-8H2,1H3,(H2,22,25)(H,23,24,26)
InChIKeyOYQVSRNFMLNGFA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.86
Rot. Bonds4

About 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine

5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine (PubChem CID 121442465) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine.

Molecular Properties

Compound Name5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
PubChem CID121442465
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
SMILESCc1cc(N)c2c(OC3CCC(Nc4ncc(F)cn4)CC3)cccc2n1
InChIInChI=1S/C20H22FN5O/c1-12-9-16(22)19-17(25-12)3-2-4-18(19)27-15-7-5-14(6-8-15)26-20-23-10-13(21)11-24-20/h2-4,9-11,14-15H,5-8H2,1H3,(H2,22,25)(H,23,24,26)
InChIKeyOYQVSRNFMLNGFA-UHFFFAOYSA-N
XLogP3.86
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine with MolForge

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Related Compounds

carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 159704825
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
CID 121442457
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
CID 161340075
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
CID 121442437
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
CID 121442417
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
5-(cyclopentylmethoxy)-2-methylquinolin-4-amine
CID 58460313
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
CID 158551918
5-(2-ethylbutoxy)-2-methylquinolin-4-amine
CID 58460399
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
The IUPAC name of 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine (CID 121442465) is 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine.
What is the SMILES notation for 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
The canonical SMILES for 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine is Cc1cc(N)c2c(OC3CCC(Nc4ncc(F)cn4)CC3)cccc2n1.
What is the InChIKey of 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
The InChIKey is OYQVSRNFMLNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-12-9-16(22)19-17(25-12)3-2-4-18(19)27-15-7-5-14(6-8-15)26-20-23-10-13(21)11-24-20/h2-4,9-11,14-15H,5-8H2,1H3,(H2,22,25)(H,23,24,26).
What are the key properties of 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine has a molecular weight of 367.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine is sourced from PubChem (CID 121442465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).