N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine

C19H20FN5OS — CID 122282628

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(-c2nc(CCNc3cc(N4CCOCC4)ncn3)cs2)cc1
InChIInChI=1S/C19H20FN5OS/c20-15-3-1-14(2-4-15)19-24-16(12-27-19)5-6-21-17-11-18(23-13-22-17)25-7-9-26-10-8-25/h1-4,11-13H,5-10H2,(H,21,22,23)
InChIKeyIXZHYXZXUKZGBY-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 122282628) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID122282628
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(-c2nc(CCNc3cc(N4CCOCC4)ncn3)cs2)cc1
InChIInChI=1S/C19H20FN5OS/c20-15-3-1-14(2-4-15)19-24-16(12-27-19)5-6-21-17-11-18(23-13-22-17)25-7-9-26-10-8-25/h1-4,11-13H,5-10H2,(H,21,22,23)
InChIKeyIXZHYXZXUKZGBY-UHFFFAOYSA-N
XLogP3.23
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17497154
[1-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133348730
6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 50970145
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858398
3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544240
1-(2,5-difluorophenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327886
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 122282628) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine is Fc1ccc(-c2nc(CCNc3cc(N4CCOCC4)ncn3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is IXZHYXZXUKZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-15-3-1-14(2-4-15)19-24-16(12-27-19)5-6-21-17-11-18(23-13-22-17)25-7-9-26-10-8-25/h1-4,11-13H,5-10H2,(H,21,22,23).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122282628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).