7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane

C16H26N4S — CID 56757294

IUPAC7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCCCSc1ncc(CN2CCCC3(CCNC3)C2)cn1
InChIInChI=1S/C16H26N4S/c1-2-8-21-15-18-9-14(10-19-15)11-20-7-3-4-16(13-20)5-6-17-12-16/h9-10,17H,2-8,11-13H2,1H3
InChIKeyPJEGYXQYWFBKNI-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.55
Rot. Bonds5

About 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane

7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 56757294) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID56757294
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCCCSc1ncc(CN2CCCC3(CCNC3)C2)cn1
InChIInChI=1S/C16H26N4S/c1-2-8-21-15-18-9-14(10-19-15)11-20-7-3-4-16(13-20)5-6-17-12-16/h9-10,17H,2-8,11-13H2,1H3
InChIKeyPJEGYXQYWFBKNI-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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Frequently Asked Questions

What is the IUPAC name of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 56757294) is 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane is CCCSc1ncc(CN2CCCC3(CCNC3)C2)cn1.
What is the InChIKey of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is PJEGYXQYWFBKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-2-8-21-15-18-9-14(10-19-15)11-20-7-3-4-16(13-20)5-6-17-12-16/h9-10,17H,2-8,11-13H2,1H3.
What are the key properties of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-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 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56757294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).