(4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

C21H25N5S — CID 139427570

IUPAC(4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3)c3nccn13)CC2
InChIInChI=1S/C21H25N5S/c22-18-7-4-8-21(18)9-12-25(13-10-21)20-24-15-17(19-23-11-14-26(19)20)27-16-5-2-1-3-6-16/h1-3,5-6,11,14-15,18H,4,7-10,12-13,22H2/t18-/m1/s1
InChIKeyLPDPDIQASXGDDX-GOSISDBHSA-N
MW379.53 g/mol
LogP3.98
Rot. Bonds3

About (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

(4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427570) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
PubChem CID139427570
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name(4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3)c3nccn13)CC2
InChIInChI=1S/C21H25N5S/c22-18-7-4-8-21(18)9-12-25(13-10-21)20-24-15-17(19-23-11-14-26(19)20)27-16-5-2-1-3-6-16/h1-3,5-6,11,14-15,18H,4,7-10,12-13,22H2/t18-/m1/s1
InChIKeyLPDPDIQASXGDDX-GOSISDBHSA-N
XLogP3.98
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 139427650
(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427654
(4R)-8-[8-[3-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427701
(R)-8-(8-((3-chloro-2-fluoropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427716
US11179397, Example 53
CID 146466864
US11179397, Example 51
CID 146466920
US11179397, Example 17
CID 146466996
(4R)-8-[8-(6-amino-2,3-dichloropyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334931
(4R)-8-[8-(6-amino-3-chloro-2-methylpyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334932
N-cyclohexyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 16474819
US11179397, Example 50
CID 146466998
US11179397, Example 119
CID 139427294

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (CID 139427570) is (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3)c3nccn13)CC2.
What is the InChIKey of (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The InChIKey is LPDPDIQASXGDDX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5S/c22-18-7-4-8-21(18)9-12-25(13-10-21)20-24-15-17(19-23-11-14-26(19)20)27-16-5-2-1-3-6-16/h1-3,5-6,11,14-15,18H,4,7-10,12-13,22H2/t18-/m1/s1.
What are the key properties of (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
(4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine has a molecular weight of 379.53 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(8-phenylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).