(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C21H22Cl3N5 — CID 146466905

IUPAC(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1nc(Cl)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H22Cl3N5/c22-14-4-1-3-13(17(14)23)16-18(24)27-20(29-12-9-26-19(16)29)28-10-7-21(8-11-28)6-2-5-15(21)25/h1,3-4,9,12,15H,2,5-8,10-11,25H2/t15-/m1/s1
InChIKeyRXXJBCMDFXRLBG-OAHLLOKOSA-N
MW450.80 g/mol
LogP5.45
Rot. Bonds2

About (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466905) has the molecular formula C21H22Cl3N5 and a molecular weight of 450.80 g/mol. Its IUPAC name is (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466905
Molecular FormulaC21H22Cl3N5
Molecular Weight450.80 g/mol
Exact Mass449.09
IUPAC Name(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1nc(Cl)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H22Cl3N5/c22-14-4-1-3-13(17(14)23)16-18(24)27-20(29-12-9-26-19(16)29)28-10-7-21(8-11-28)6-2-5-15(21)25/h1,3-4,9,12,15H,2,5-8,10-11,25H2/t15-/m1/s1
InChIKeyRXXJBCMDFXRLBG-OAHLLOKOSA-N
XLogP5.45
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.80
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466905) is (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1nc(Cl)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RXXJBCMDFXRLBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22Cl3N5/c22-14-4-1-3-13(17(14)23)16-18(24)27-20(29-12-9-26-19(16)29)28-10-7-21(8-11-28)6-2-5-15(21)25/h1,3-4,9,12,15H,2,5-8,10-11,25H2/t15-/m1/s1.
What are the key properties of (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 450.80 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).