7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

C16H21F3N4O — CID 56863165

IUPAC7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(c3nccc(CCC(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C16H21F3N4O/c1-22-9-2-5-15(13(22)24)7-10-23(11-15)14-20-8-4-12(21-14)3-6-16(17,18)19/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeySLPUZXBSBIPHKG-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.42
Rot. Bonds3

About 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56863165) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56863165
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(c3nccc(CCC(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C16H21F3N4O/c1-22-9-2-5-15(13(22)24)7-10-23(11-15)14-20-8-4-12(21-14)3-6-16(17,18)19/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeySLPUZXBSBIPHKG-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (CID 56863165) is 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(c3nccc(CCC(F)(F)F)n3)C2)C1=O.
What is the InChIKey of 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SLPUZXBSBIPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-22-9-2-5-15(13(22)24)7-10-23(11-15)14-20-8-4-12(21-14)3-6-16(17,18)19/h4,8H,2-3,5-7,9-11H2,1H3.
What are the key properties of 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56863165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).