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

C15H21F3N4O — CID 126797743

IUPACN,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC3(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
InChIKeyQVUQLZQPMLLLPN-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.57
Rot. Bonds2

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

N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126797743) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126797743
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC3(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
InChIKeyQVUQLZQPMLLLPN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 126797743) is N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CCC3(CCCOC3)C2)n1.
What is the InChIKey of N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QVUQLZQPMLLLPN-UHFFFAOYSA-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.
What are the key properties of N,N-dimethyl-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-(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-(7-oxa-2-azaspiro[4.5]decan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126797743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).