9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane

C17H26N4S — CID 56918278

IUPAC9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane
SMILESCSc1nccc(N2CCC3(CCCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C17H26N4S/c1-22-16-18-8-5-15(19-16)21-10-7-17(13-21)6-2-9-20(12-17)11-14-3-4-14/h5,8,14H,2-4,6-7,9-13H2,1H3
InChIKeyLTOSUICIYXWBIV-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.90
Rot. Bonds4

About 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 56918278) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane
PubChem CID56918278
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane
SMILESCSc1nccc(N2CCC3(CCCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C17H26N4S/c1-22-16-18-8-5-15(19-16)21-10-7-17(13-21)6-2-9-20(12-17)11-14-3-4-14/h5,8,14H,2-4,6-7,9-13H2,1H3
InChIKeyLTOSUICIYXWBIV-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane (CID 56918278) is 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane is CSc1nccc(N2CCC3(CCCN(CC4CC4)C3)C2)n1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is LTOSUICIYXWBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-22-16-18-8-5-15(19-16)21-10-7-17(13-21)6-2-9-20(12-17)11-14-3-4-14/h5,8,14H,2-4,6-7,9-13H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 318.49 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56918278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).