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

C21H24ClN5S — CID 139427681

IUPAC(4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3Cl)c3nccn13)CC2
InChIInChI=1S/C21H24ClN5S/c22-15-4-1-2-5-16(15)28-17-14-25-20(27-13-10-24-19(17)27)26-11-8-21(9-12-26)7-3-6-18(21)23/h1-2,4-5,10,13-14,18H,3,6-9,11-12,23H2/t18-/m1/s1
InChIKeyKPMFCZTZEVGQMD-GOSISDBHSA-N
MW413.98 g/mol
LogP4.63
Rot. Bonds3

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

(4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427681) has the molecular formula C21H24ClN5S and a molecular weight of 413.98 g/mol. Its IUPAC name is (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427681
Molecular FormulaC21H24ClN5S
Molecular Weight413.98 g/mol
Exact Mass413.14
IUPAC Name(4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3Cl)c3nccn13)CC2
InChIInChI=1S/C21H24ClN5S/c22-15-4-1-2-5-16(15)28-17-14-25-20(27-13-10-24-19(17)27)26-11-8-21(9-12-26)7-3-6-18(21)23/h1-2,4-5,10,13-14,18H,3,6-9,11-12,23H2/t18-/m1/s1
InChIKeyKPMFCZTZEVGQMD-GOSISDBHSA-N
XLogP4.63
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.98
LogP ≤ 54.63
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-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427681) is (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is KPMFCZTZEVGQMD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24ClN5S/c22-15-4-1-2-5-16(15)28-17-14-25-20(27-13-10-24-19(17)27)26-11-8-21(9-12-26)7-3-6-18(21)23/h1-2,4-5,10,13-14,18H,3,6-9,11-12,23H2/t18-/m1/s1.
What are the key properties of (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 413.98 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).