5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine

C21H24FN5O — CID 176977004

IUPAC5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine
SMILESCC(C)c1c(CN2CCOCC2)cnc2ccc(-c3nc(N)ncc3F)cc12
InChIInChI=1S/C21H24FN5O/c1-13(2)19-15(12-27-5-7-28-8-6-27)10-24-18-4-3-14(9-16(18)19)20-17(22)11-25-21(23)26-20/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,23,25,26)
InChIKeyVGAZAMUOULSAOH-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.37
Rot. Bonds4

About 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine

5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine (PubChem CID 176977004) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine
PubChem CID176977004
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine
SMILESCC(C)c1c(CN2CCOCC2)cnc2ccc(-c3nc(N)ncc3F)cc12
InChIInChI=1S/C21H24FN5O/c1-13(2)19-15(12-27-5-7-28-8-6-27)10-24-18-4-3-14(9-16(18)19)20-17(22)11-25-21(23)26-20/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,23,25,26)
InChIKeyVGAZAMUOULSAOH-UHFFFAOYSA-N
XLogP3.37
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine
CID 176685842
4-hydrazinyl-6-[2-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
CID 69016574
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
5-methyl-4-(morpholin-4-ylmethyl)pyrimidin-2-amine
CID 140974080
4-[(6-ethenyl-4-propan-2-yl-3-pyridinyl)methyl]morpholine
CID 171723358
[4-[3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidin-4-yl]methanol
CID 22471278
ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
CID 177223296
6-[2-amino-6-fluoro-5-[4-morpholin-4-yl-3-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 166094695
(1R)-3-[4-(hydroxymethyl)-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidin-4-yl]-1-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propan-1-ol
CID 20798181
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine (CID 176977004) is 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine is CC(C)c1c(CN2CCOCC2)cnc2ccc(-c3nc(N)ncc3F)cc12.
What is the InChIKey of 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine?
The InChIKey is VGAZAMUOULSAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-13(2)19-15(12-27-5-7-28-8-6-27)10-24-18-4-3-14(9-16(18)19)20-17(22)11-25-21(23)26-20/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,23,25,26).
What are the key properties of 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine?
5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine has a molecular weight of 381.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 176977004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).