[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone

C26H30FN9O2 — CID 154728490

IUPAC[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N(C3CC3)C3CCN(C(=O)c4cccc(F)c4)CC3)n2)cn1
InChIInChI=1S/C26H30FN9O2/c27-19-3-1-2-17(14-19)23(37)34-8-6-21(7-9-34)36(20-4-5-20)26-32-22(18-15-29-24(28)30-16-18)31-25(33-26)35-10-12-38-13-11-35/h1-3,14-16,20-21H,4-13H2,(H2,28,29,30)
InChIKeyRPJMGASSSQVMNZ-UHFFFAOYSA-N
MW519.59 g/mol
LogP2.16
Rot. Bonds6

About [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone

[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 154728490) has the molecular formula C26H30FN9O2 and a molecular weight of 519.59 g/mol. Its IUPAC name is [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID154728490
Molecular FormulaC26H30FN9O2
Molecular Weight519.59 g/mol
Exact Mass519.25
IUPAC Name[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N(C3CC3)C3CCN(C(=O)c4cccc(F)c4)CC3)n2)cn1
InChIInChI=1S/C26H30FN9O2/c27-19-3-1-2-17(14-19)23(37)34-8-6-21(7-9-34)36(20-4-5-20)26-32-22(18-15-29-24(28)30-16-18)31-25(33-26)35-10-12-38-13-11-35/h1-3,14-16,20-21H,4-13H2,(H2,28,29,30)
InChIKeyRPJMGASSSQVMNZ-UHFFFAOYSA-N
XLogP2.16
TPSA126.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.59
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone with MolForge

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Related Compounds

[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 59244613
(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92568467
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 46202140
4-(2-aminopyrimidin-5-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 70827824
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 67004771
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-piperazin-1-ylmethanone
CID 70988826
tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 171478111
(3-fluorophenyl)-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 50846441
(3-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668
(3-fluorophenyl)-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7410463

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 154728490) is [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone is Nc1ncc(-c2nc(N3CCOCC3)nc(N(C3CC3)C3CCN(C(=O)c4cccc(F)c4)CC3)n2)cn1.
What is the InChIKey of [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is RPJMGASSSQVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN9O2/c27-19-3-1-2-17(14-19)23(37)34-8-6-21(7-9-34)36(20-4-5-20)26-32-22(18-15-29-24(28)30-16-18)31-25(33-26)35-10-12-38-13-11-35/h1-3,14-16,20-21H,4-13H2,(H2,28,29,30).
What are the key properties of [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone?
[4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 519.59 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-cyclopropylamino]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 154728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).