8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane

C16H23F3N4 — CID 50960928

IUPAC8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCc1nc(C(F)(F)F)nc(N2CCC3(CCN(C)C3)CC2)c1C
InChIInChI=1S/C16H23F3N4/c1-11-12(2)20-14(16(17,18)19)21-13(11)23-8-5-15(6-9-23)4-7-22(3)10-15/h4-10H2,1-3H3
InChIKeyLQNWGFCMTWQSAF-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.03
Rot. Bonds1

About 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane

8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 50960928) has the molecular formula C16H23F3N4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID50960928
Molecular FormulaC16H23F3N4
Molecular Weight328.38 g/mol
Exact Mass328.19
IUPAC Name8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCc1nc(C(F)(F)F)nc(N2CCC3(CCN(C)C3)CC2)c1C
InChIInChI=1S/C16H23F3N4/c1-11-12(2)20-14(16(17,18)19)21-13(11)23-8-5-15(6-9-23)4-7-22(3)10-15/h4-10H2,1-3H3
InChIKeyLQNWGFCMTWQSAF-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane (CID 50960928) is 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane is Cc1nc(C(F)(F)F)nc(N2CCC3(CCN(C)C3)CC2)c1C.
What is the InChIKey of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is LQNWGFCMTWQSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4/c1-11-12(2)20-14(16(17,18)19)21-13(11)23-8-5-15(6-9-23)4-7-22(3)10-15/h4-10H2,1-3H3.
What are the key properties of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane?
8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 328.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 50960928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).