(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C15H23FN4O — CID 97475083

IUPAC(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1C
InChIInChI=1S/C15H23FN4O/c1-19-11-15(7-13(19)10-21-2)3-5-20(6-4-15)14-17-8-12(16)9-18-14/h8-9,13H,3-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZXUCPKUGVAUDEW-CYBMUJFWSA-N
MW294.37 g/mol
LogP1.55
Rot. Bonds3

About (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 97475083) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID97475083
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1C
InChIInChI=1S/C15H23FN4O/c1-19-11-15(7-13(19)10-21-2)3-5-20(6-4-15)14-17-8-12(16)9-18-14/h8-9,13H,3-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZXUCPKUGVAUDEW-CYBMUJFWSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
(4R,4aS,7aS)-6-ethyl-1-(5-fluoropyrimidin-2-yl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97423170
2-(5-Fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
CID 97472501
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
11-(5-Fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739183
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
2-Methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 118743459
2-(2-Methoxyethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 118745406
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 97475083) is (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1C.
What is the InChIKey of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is ZXUCPKUGVAUDEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19-11-15(7-13(19)10-21-2)3-5-20(6-4-15)14-17-8-12(16)9-18-14/h8-9,13H,3-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 294.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).