cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

C20H25F3N4O4 — CID 155851849

IUPACcyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1=CCCC1)N1CCOCC1c1nccc(NCC2CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O2.C2HF3O2/c23-18(14-3-1-2-4-14)22-9-10-24-12-15(22)17-19-8-7-16(21-17)20-11-13-5-6-13;3-2(4,5)1(6)7/h3,7-8,13,15H,1-2,4-6,9-12H2,(H,19,20,21);(H,6,7)
InChIKeyKMSSASTVNJUHCG-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.94
Rot. Bonds5

About cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155851849) has the molecular formula C20H25F3N4O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155851849
Molecular FormulaC20H25F3N4O4
Molecular Weight442.44 g/mol
Exact Mass442.18
IUPAC Namecyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1=CCCC1)N1CCOCC1c1nccc(NCC2CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O2.C2HF3O2/c23-18(14-3-1-2-4-14)22-9-10-24-12-15(22)17-19-8-7-16(21-17)20-11-13-5-6-13;3-2(4,5)1(6)7/h3,7-8,13,15H,1-2,4-6,9-12H2,(H,19,20,21);(H,6,7)
InChIKeyKMSSASTVNJUHCG-UHFFFAOYSA-N
XLogP2.94
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-3-cyclopropyl-2-fluoro-N-[(3S,4S)-3-[(2-methylpyrimidin-4-yl)amino]oxan-4-yl]but-2-enamide
CID 136589026
(Z)-3-cyclopropyl-2-fluoro-N-[(3R,4R)-3-[(2-methylpyrimidin-4-yl)amino]oxan-4-yl]but-2-enamide
CID 138012716
Cyclohexen-1-yl-[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155825836
2-(Cyclohexen-1-yl)-1-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155830638
Cyclopent-3-en-1-yl-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155831499
2-(Cyclohexen-1-yl)-1-[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836113
Cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155839853
Cyclopropyl-[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155844249
2-Cyclopentyl-1-[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155851346
1-[3-[4-(Cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155852364
cyclopenten-1-yl-[(5R,9S)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155854771
1-[3-[4-(Cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-2-(cyclohexen-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155861610

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 155851849) is cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1=CCCC1)N1CCOCC1c1nccc(NCC2CC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is KMSSASTVNJUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.C2HF3O2/c23-18(14-3-1-2-4-14)22-9-10-24-12-15(22)17-19-8-7-16(21-17)20-11-13-5-6-13;3-2(4,5)1(6)7/h3,7-8,13,15H,1-2,4-6,9-12H2,(H,19,20,21);(H,6,7).
What are the key properties of cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 442.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).