10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one

C16H21F3N4O — CID 56706376

IUPAC10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CCN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C16H21F3N4O/c1-22-9-5-15(4-2-13(22)24)6-10-23(11-7-15)14-20-8-3-12(21-14)16(17,18)19/h3,8H,2,4-7,9-11H2,1H3
InChIKeySCNAAONIQQDSLF-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.72
Rot. Bonds1

About 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one

10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56706376) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56706376
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CCN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C16H21F3N4O/c1-22-9-5-15(4-2-13(22)24)6-10-23(11-7-15)14-20-8-3-12(21-14)16(17,18)19/h3,8H,2,4-7,9-11H2,1H3
InChIKeySCNAAONIQQDSLF-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 56706376) is 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CCN(c1nccc(C(F)(F)F)n1)CC2.
What is the InChIKey of 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is SCNAAONIQQDSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-22-9-5-15(4-2-13(22)24)6-10-23(11-7-15)14-20-8-3-12(21-14)16(17,18)19/h3,8H,2,4-7,9-11H2,1H3.
What are the key properties of 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one?
10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 342.37 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56706376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).