(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C17H21N5OS2 — CID 97200755

IUPAC(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(c3cc(Sc4cccs4)nc(N)n3)C2)C1=O
InChIInChI=1S/C17H21N5OS2/c1-21-7-3-5-17(15(21)23)6-8-22(11-17)12-10-13(20-16(18)19-12)25-14-4-2-9-24-14/h2,4,9-10H,3,5-8,11H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyAKYSHFDKDXZRKK-QGZVFWFLSA-N
MW375.52 g/mol
LogP2.72
Rot. Bonds3

About (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97200755) has the molecular formula C17H21N5OS2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97200755
Molecular FormulaC17H21N5OS2
Molecular Weight375.52 g/mol
Exact Mass375.12
IUPAC Name(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(c3cc(Sc4cccs4)nc(N)n3)C2)C1=O
InChIInChI=1S/C17H21N5OS2/c1-21-7-3-5-17(15(21)23)6-8-22(11-17)12-10-13(20-16(18)19-12)25-14-4-2-9-24-14/h2,4,9-10H,3,5-8,11H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyAKYSHFDKDXZRKK-QGZVFWFLSA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 97200755) is (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@]2(CCN(c3cc(Sc4cccs4)nc(N)n3)C2)C1=O.
What is the InChIKey of (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AKYSHFDKDXZRKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5OS2/c1-21-7-3-5-17(15(21)23)6-8-22(11-17)12-10-13(20-16(18)19-12)25-14-4-2-9-24-14/h2,4,9-10H,3,5-8,11H2,1H3,(H2,18,19,20)/t17-/m1/s1.
What are the key properties of (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 375.52 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97200755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).