(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane

C15H21F3N4 — CID 95211576

IUPAC(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane
SMILESCc1nc(C(F)(F)F)nc(N2CCC[C@@]3(CCNC3)C2)c1C
InChIInChI=1S/C15H21F3N4/c1-10-11(2)20-13(15(16,17)18)21-12(10)22-7-3-4-14(9-22)5-6-19-8-14/h19H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyHRWFGBIJDUCJSA-AWEZNQCLSA-N
MW314.36 g/mol
LogP2.69
Rot. Bonds1

About (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane

(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane (PubChem CID 95211576) has the molecular formula C15H21F3N4 and a molecular weight of 314.36 g/mol. Its IUPAC name is (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane
PubChem CID95211576
Molecular FormulaC15H21F3N4
Molecular Weight314.36 g/mol
Exact Mass314.17
IUPAC Name(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane
SMILESCc1nc(C(F)(F)F)nc(N2CCC[C@@]3(CCNC3)C2)c1C
InChIInChI=1S/C15H21F3N4/c1-10-11(2)20-13(15(16,17)18)21-12(10)22-7-3-4-14(9-22)5-6-19-8-14/h19H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyHRWFGBIJDUCJSA-AWEZNQCLSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
CID 154919890
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 102850533
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95227903
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 122559840
N-[(E)-but-2-en-2-yl]-4-(4,4-dimethylazepan-1-yl)-6-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176694293
2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline
CID 89272054
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168
5-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 122558697
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
CID 56877170
2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline
CID 70887019

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane (CID 95211576) is (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane is Cc1nc(C(F)(F)F)nc(N2CCC[C@@]3(CCNC3)C2)c1C.
What is the InChIKey of (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane?
The InChIKey is HRWFGBIJDUCJSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21F3N4/c1-10-11(2)20-13(15(16,17)18)21-12(10)22-7-3-4-14(9-22)5-6-19-8-14/h19H,3-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane?
(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane has a molecular weight of 314.36 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 95211576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).