2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C16H21F3N4O2 — CID 131678987

IUPAC2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCC(C)N1CC2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O
InChIInChI=1S/C16H21F3N4O2/c1-11(2)23-8-15(6-14(23)24)7-22(3-4-25-9-15)13-5-12(16(17,18)19)20-10-21-13/h5,10-11H,3-4,6-9H2,1-2H3
InChIKeyGWNYWAQMOKSPGH-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.96
Rot. Bonds2

About 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131678987) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131678987
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCC(C)N1CC2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O
InChIInChI=1S/C16H21F3N4O2/c1-11(2)23-8-15(6-14(23)24)7-22(3-4-25-9-15)13-5-12(16(17,18)19)20-10-21-13/h5,10-11H,3-4,6-9H2,1-2H3
InChIKeyGWNYWAQMOKSPGH-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155867923
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155868261
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
10-[(2-methylphenyl)methyl]-2-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678761
(3aS,6aS)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 97377895
10-(1-phenylethyl)-2-pyrimidin-4-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155867747
10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 134070744
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
(2-methylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631552
4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 126853610
4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 166602956

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131678987) is 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is CC(C)N1CC2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O.
What is the InChIKey of 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is GWNYWAQMOKSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-11(2)23-8-15(6-14(23)24)7-22(3-4-25-9-15)13-5-12(16(17,18)19)20-10-21-13/h5,10-11H,3-4,6-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 358.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-10-[6-(trifluoromethyl)pyrimidin-4-yl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131678987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).