N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C15H21F3N4O — CID 164632020

IUPACN,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CC[C@@]3(CCCOC3)C2)n1
InChIInChI=1S/C15H21F3N4O/c1-21(2)12-8-11(15(16,17)18)19-13(20-12)22-6-5-14(9-22)4-3-7-23-10-14/h8H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyQVUQLZQPMLLLPN-AWEZNQCLSA-N
MW330.35 g/mol
LogP2.57
Rot. Bonds2

About N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 164632020) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID164632020
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CC[C@@]3(CCCOC3)C2)n1
InChIInChI=1S/C15H21F3N4O/c1-21(2)12-8-11(15(16,17)18)19-13(20-12)22-6-5-14(9-22)4-3-7-23-10-14/h8H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyQVUQLZQPMLLLPN-AWEZNQCLSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine
CID 126444168
2-(2-Ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane
CID 126827005
7-[2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-oxa-7-azabicyclo[3.3.1]nonane
CID 132450692
4-Methyl-9-[2-(1-pyrrolidinyl)-6-(trifluoromethyl)-4-pyrimidinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378351
(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane
CID 164630642
(4R)-2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 164634257
(5S)-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-7-azaspiro[4.5]decan-4-ol
CID 168453148
[3-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 156779758
[3-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 156779766
[3-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 156779779
[(1R,5S)-3-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 176026229
3-{(3R*,4S*)-4-(dimethylamino)-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl}propan-1-ol
CID 72920135

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 164632020) is N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CC[C@@]3(CCCOC3)C2)n1.
What is the InChIKey of N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QVUQLZQPMLLLPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-21(2)12-8-11(15(16,17)18)19-13(20-12)22-6-5-14(9-22)4-3-7-23-10-14/h8H,3-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 330.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 164632020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).