2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C18H23FN6 — CID 134077441

IUPAC2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCCc1cnc(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2)nc1
InChIInChI=1S/C18H23FN6/c1-2-14-8-20-16(21-9-14)25-7-5-18(13-25)4-3-6-24(12-18)17-22-10-15(19)11-23-17/h8-11H,2-7,12-13H2,1H3
InChIKeyZXLZSBDJWNFMHO-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 134077441) has the molecular formula C18H23FN6 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID134077441
Molecular FormulaC18H23FN6
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC Name2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCCc1cnc(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2)nc1
InChIInChI=1S/C18H23FN6/c1-2-14-8-20-16(21-9-14)25-7-5-18(13-25)4-3-6-24(12-18)17-22-10-15(19)11-23-17/h8-11H,2-7,12-13H2,1H3
InChIKeyZXLZSBDJWNFMHO-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 56756393
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
7-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 131648835
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482395
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450304

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 134077441) is 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is CCc1cnc(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2)nc1.
What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is ZXLZSBDJWNFMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6/c1-2-14-8-20-16(21-9-14)25-7-5-18(13-25)4-3-6-24(12-18)17-22-10-15(19)11-23-17/h8-11H,2-7,12-13H2,1H3.
What are the key properties of 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 342.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 134077441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).