(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane

C19H29FN4O — CID 97476385

IUPAC(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
SMILESCCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1CC1CC1
InChIInChI=1S/C19H29FN4O/c1-2-25-14-17-5-6-19(24(17)13-15-3-4-15)7-9-23(10-8-19)18-21-11-16(20)12-22-18/h11-12,15,17H,2-10,13-14H2,1H3/t17-/m0/s1
InChIKeyHWDCBZWFNHOZMD-KRWDZBQOSA-N
MW348.47 g/mol
LogP2.87
Rot. Bonds6

About (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane

(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane (PubChem CID 97476385) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
PubChem CID97476385
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
SMILESCCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1CC1CC1
InChIInChI=1S/C19H29FN4O/c1-2-25-14-17-5-6-19(24(17)13-15-3-4-15)7-9-23(10-8-19)18-21-11-16(20)12-22-18/h11-12,15,17H,2-10,13-14H2,1H3/t17-/m0/s1
InChIKeyHWDCBZWFNHOZMD-KRWDZBQOSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162443726
(1R,5S)-3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162702124
3-(Cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131651894
(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 72860639
(3S*,4R*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72864093
3-[(3R*,4S*)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
CID 72907730

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane (CID 97476385) is (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane is CCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1CC1CC1.
What is the InChIKey of (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
The InChIKey is HWDCBZWFNHOZMD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-2-25-14-17-5-6-19(24(17)13-15-3-4-15)7-9-23(10-8-19)18-21-11-16(20)12-22-18/h11-12,15,17H,2-10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane has a molecular weight of 348.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97476385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).