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

C24H31N5S — CID 150171720

IUPAC(4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12
InChIInChI=1S/C24H31N5S/c1-17(2)18-6-3-4-7-19(18)30-20-16-27-23(29-15-12-26-22(20)29)28-13-10-24(11-14-28)9-5-8-21(24)25/h3-4,6-7,12,15-17,21H,5,8-11,13-14,25H2,1-2H3/t21-/m1/s1
InChIKeyFJOKJWQCVKEZAN-OAQYLSRUSA-N
MW421.61 g/mol
LogP5.10
Rot. Bonds4

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

(4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 150171720) has the molecular formula C24H31N5S and a molecular weight of 421.61 g/mol. Its IUPAC name is (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID150171720
Molecular FormulaC24H31N5S
Molecular Weight421.61 g/mol
Exact Mass421.23
IUPAC Name(4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12
InChIInChI=1S/C24H31N5S/c1-17(2)18-6-3-4-7-19(18)30-20-16-27-23(29-15-12-26-22(20)29)28-13-10-24(11-14-28)9-5-8-21(24)25/h3-4,6-7,12,15-17,21H,5,8-11,13-14,25H2,1-2H3/t21-/m1/s1
InChIKeyFJOKJWQCVKEZAN-OAQYLSRUSA-N
XLogP5.10
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 150171720) is (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is CC(C)c1ccccc1Sc1cnc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc12.
What is the InChIKey of (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is FJOKJWQCVKEZAN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N5S/c1-17(2)18-6-3-4-7-19(18)30-20-16-27-23(29-15-12-26-22(20)29)28-13-10-24(11-14-28)9-5-8-21(24)25/h3-4,6-7,12,15-17,21H,5,8-11,13-14,25H2,1-2H3/t21-/m1/s1.
What are the key properties of (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 421.61 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2-propan-2-ylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 150171720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).