2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane

C16H26N4S — CID 56712606

IUPAC2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCCCSc1ncc(CN2CCC3(CCNCC3)C2)cn1
InChIInChI=1S/C16H26N4S/c1-2-9-21-15-18-10-14(11-19-15)12-20-8-5-16(13-20)3-6-17-7-4-16/h10-11,17H,2-9,12-13H2,1H3
InChIKeyWBEWGFJEPLAQIT-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56712606) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56712606
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCCCSc1ncc(CN2CCC3(CCNCC3)C2)cn1
InChIInChI=1S/C16H26N4S/c1-2-9-21-15-18-10-14(11-19-15)12-20-8-5-16(13-20)3-6-17-7-4-16/h10-11,17H,2-9,12-13H2,1H3
InChIKeyWBEWGFJEPLAQIT-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
5-Methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72872800
7-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decane
CID 56757294
rel-(3aS,6aS)-1-{[2-(propylthio)-5-pyrimidinyl]methyl}octahydropyrrolo[3,4-b]pyrrole dihydrochloride
CID 70748701
8-(5-(Trifluoromethyl)pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 59505729
2-[5-(Trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 168208468
5-Fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 71643623
5-Fluoro-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 71643627
5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97165145
5-fluoro-2-[[(3S)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97165146
[1-(5-Fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 104606069

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 56712606) is 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane is CCCSc1ncc(CN2CCC3(CCNCC3)C2)cn1.
What is the InChIKey of 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is WBEWGFJEPLAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-2-9-21-15-18-10-14(11-19-15)12-20-8-5-16(13-20)3-6-17-7-4-16/h10-11,17H,2-9,12-13H2,1H3.
What are the key properties of 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 306.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56712606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).