[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C18H19F3N6O — CID 139580374

IUPAC[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)13-2-1-5-27(10-13)15(28)12-6-24-16(25-7-12)26-17(3-4-17)14-8-22-11-23-9-14/h6-9,11,13H,1-5,10H2,(H,24,25,26)
InChIKeyGFMHKBZCZBJPBT-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.78
Rot. Bonds4

About [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 139580374) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID139580374
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)13-2-1-5-27(10-13)15(28)12-6-24-16(25-7-12)26-17(3-4-17)14-8-22-11-23-9-14/h6-9,11,13H,1-5,10H2,(H,24,25,26)
InChIKeyGFMHKBZCZBJPBT-UHFFFAOYSA-N
XLogP2.78
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 145441240
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 139580369
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 139580413
[(3S,4S)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580395
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441251
morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177712
[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580387
1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177590
[(2R)-2-ethynylpiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441238
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627

Frequently Asked Questions

What is the IUPAC name of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 139580374) is [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is GFMHKBZCZBJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c19-18(20,21)13-2-1-5-27(10-13)15(28)12-6-24-16(25-7-12)26-17(3-4-17)14-8-22-11-23-9-14/h6-9,11,13H,1-5,10H2,(H,24,25,26).
What are the key properties of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 392.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 139580374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).