N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H22N4OS — CID 118743776

IUPACN-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESc1cnc(NC2COC3(CCN(Cc4cccs4)CC3)C2)nc1
InChIInChI=1S/C17H22N4OS/c1-3-15(23-10-1)12-21-8-4-17(5-9-21)11-14(13-22-17)20-16-18-6-2-7-19-16/h1-3,6-7,10,14H,4-5,8-9,11-13H2,(H,18,19,20)
InChIKeyWGNWCJZXCFZPBC-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.77
Rot. Bonds4

About N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118743776) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118743776
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESc1cnc(NC2COC3(CCN(Cc4cccs4)CC3)C2)nc1
InChIInChI=1S/C17H22N4OS/c1-3-15(23-10-1)12-21-8-4-17(5-9-21)11-14(13-22-17)20-16-18-6-2-7-19-16/h1-3,6-7,10,14H,4-5,8-9,11-13H2,(H,18,19,20)
InChIKeyWGNWCJZXCFZPBC-UHFFFAOYSA-N
XLogP2.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,3aR,6S,6aR)-3-N-(cyclohexylmethyl)-6-N-(4-thiophen-2-ylpyrimidin-2-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
CID 11912908
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343191
1-(1-Pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51081912
4-(5-Fluoropyrimidin-2-yl)-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372288
9-(5-Fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450776
9-(5-Methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450777
8-(5-Fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118744412
8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744884
11-Pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746651
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 162665694
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 91824850
1-((1-(Pyrimidin-2-yl)piperidin-4-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 49687870

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118743776) is N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is c1cnc(NC2COC3(CCN(Cc4cccs4)CC3)C2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is WGNWCJZXCFZPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-15(23-10-1)12-21-8-4-17(5-9-21)11-14(13-22-17)20-16-18-6-2-7-19-16/h1-3,6-7,10,14H,4-5,8-9,11-13H2,(H,18,19,20).
What are the key properties of N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 330.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118743776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).