N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine

C17H23F3N4O — CID 128728206

IUPACN-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine
SMILESFC(F)(F)C1CCN(c2cc(NC3CC3)ncn2)CC12CCOCC2
InChIInChI=1S/C17H23F3N4O/c18-17(19,20)13-3-6-24(10-16(13)4-7-25-8-5-16)15-9-14(21-11-22-15)23-12-1-2-12/h9,11-13H,1-8,10H2,(H,21,22,23)
InChIKeyVOXHTOWYIXKNKS-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.24
Rot. Bonds3

About N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine

N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine (PubChem CID 128728206) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine
PubChem CID128728206
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC NameN-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine
SMILESFC(F)(F)C1CCN(c2cc(NC3CC3)ncn2)CC12CCOCC2
InChIInChI=1S/C17H23F3N4O/c18-17(19,20)13-3-6-24(10-16(13)4-7-25-8-5-16)15-9-14(21-11-22-15)23-12-1-2-12/h9,11-13H,1-8,10H2,(H,21,22,23)
InChIKeyVOXHTOWYIXKNKS-UHFFFAOYSA-N
XLogP3.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine (CID 128728206) is N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine is FC(F)(F)C1CCN(c2cc(NC3CC3)ncn2)CC12CCOCC2.
What is the InChIKey of N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine?
The InChIKey is VOXHTOWYIXKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c18-17(19,20)13-3-6-24(10-16(13)4-7-25-8-5-16)15-9-14(21-11-22-15)23-12-1-2-12/h9,11-13H,1-8,10H2,(H,21,22,23).
What are the key properties of N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine?
N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine has a molecular weight of 356.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 128728206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).