5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine

C13H17FN6O — CID 50962154

IUPAC5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cnc(NCCc2ncc[nH]2)nc1N1CCOCC1
InChIInChI=1S/C13H17FN6O/c14-10-9-18-13(17-2-1-11-15-3-4-16-11)19-12(10)20-5-7-21-8-6-20/h3-4,9H,1-2,5-8H2,(H,15,16)(H,17,18,19)
InChIKeyJFTYCDKOMDXCEX-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.83
Rot. Bonds5

About 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine

5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50962154) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50962154
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cnc(NCCc2ncc[nH]2)nc1N1CCOCC1
InChIInChI=1S/C13H17FN6O/c14-10-9-18-13(17-2-1-11-15-3-4-16-11)19-12(10)20-5-7-21-8-6-20/h3-4,9H,1-2,5-8H2,(H,15,16)(H,17,18,19)
InChIKeyJFTYCDKOMDXCEX-UHFFFAOYSA-N
XLogP0.83
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine
CID 67300255
Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride
CID 3071747
Morpholinopurine
CID 66658580
N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72869990
4-(2-Imidazol-1-ylpyrimidin-4-yl)morpholine
CID 3071748
4-(4-Imidazol-1-ylpyrimidin-2-yl)morpholine
CID 3071754
1-[2-(4-[2-(2,2,2-Trifluoroethyl)guanidino]pyrimid-2-yloxy)ethyl]imidazole
CID 20246953
{4-[(4-{[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]amino}-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1H-imidazol-1-yl}acetonitrile
CID 44548071
N-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N'-(1-isopropyl-1H-imidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548072
N-(1-Ethyl-1H-imidazol-4-yl)-N'-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548236
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175368
5-fluoro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175553

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 50962154) is 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine is Fc1cnc(NCCc2ncc[nH]2)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is JFTYCDKOMDXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c14-10-9-18-13(17-2-1-11-15-3-4-16-11)19-12(10)20-5-7-21-8-6-20/h3-4,9H,1-2,5-8H2,(H,15,16)(H,17,18,19).
What are the key properties of 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 292.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).