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

C18H27FN4O — CID 131638577

IUPAC3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CC2(CCN(c3ncc(F)cn3)CC2)CC1COCC1CC1
InChIInChI=1S/C18H27FN4O/c1-22-13-18(8-16(22)12-24-11-14-2-3-14)4-6-23(7-5-18)17-20-9-15(19)10-21-17/h9-10,14,16H,2-8,11-13H2,1H3
InChIKeyABRUGQIFOWEKOD-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.33
Rot. Bonds5

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

3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 131638577) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID131638577
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CC2(CCN(c3ncc(F)cn3)CC2)CC1COCC1CC1
InChIInChI=1S/C18H27FN4O/c1-22-13-18(8-16(22)12-24-11-14-2-3-14)4-6-23(7-5-18)17-20-9-15(19)10-21-17/h9-10,14,16H,2-8,11-13H2,1H3
InChIKeyABRUGQIFOWEKOD-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,4aS,7aS)-6-(cyclopropylmethyl)-1-(5-fluoropyrimidin-2-yl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97423186
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
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
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746090
2-(5-Fluoropyrimidin-2-yl)-7-prop-2-enoxy-2-azabicyclo[2.2.1]heptane
CID 131652268
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
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 134080138

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 131638577) is 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane is CN1CC2(CCN(c3ncc(F)cn3)CC2)CC1COCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is ABRUGQIFOWEKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-22-13-18(8-16(22)12-24-11-14-2-3-14)4-6-23(7-5-18)17-20-9-15(19)10-21-17/h9-10,14,16H,2-8,11-13H2,1H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 334.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131638577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).