2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C16H22F3N5O — CID 72871076

IUPAC2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(c3cc(C(F)(F)F)nc(N(C)C)n3)C2)C1=O
InChIInChI=1S/C16H22F3N5O/c1-22(2)14-20-11(16(17,18)19)9-12(21-14)24-8-6-15(10-24)5-4-7-23(3)13(15)25/h9H,4-8,10H2,1-3H3
InChIKeyZFZUSPHQLMXJLM-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.01
Rot. Bonds2

About 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72871076) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72871076
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC Name2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(c3cc(C(F)(F)F)nc(N(C)C)n3)C2)C1=O
InChIInChI=1S/C16H22F3N5O/c1-22(2)14-20-11(16(17,18)19)9-12(21-14)24-8-6-15(10-24)5-4-7-23(3)13(15)25/h9H,4-8,10H2,1-3H3
InChIKeyZFZUSPHQLMXJLM-UHFFFAOYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)azepane-2,5-dione
CID 44407347
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
Cyclohexyl(4-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 53047578
2-(4-Cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56870839
2-(Cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70710773
9-(2-Amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756233
2-Cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771390
2-(Cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775298
7-Isopropyl-2-[4-(trifluoromethyl)pyrimidin-2-YL]-2,7-diazaspiro[4.5]decan-6-one
CID 72871782
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclohexanecarboxamide
CID 91809780
N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72871076) is 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(c3cc(C(F)(F)F)nc(N(C)C)n3)C2)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZFZUSPHQLMXJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-22(2)14-20-11(16(17,18)19)9-12(21-14)24-8-6-15(10-24)5-4-7-23(3)13(15)25/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72871076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).