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

C21H23Cl2N5 — CID 139427315

IUPAC(4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H23Cl2N5/c22-16-4-1-3-14(18(16)23)15-13-26-20(28-12-9-25-19(15)28)27-10-7-21(8-11-27)6-2-5-17(21)24/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2/t17-/m1/s1
InChIKeyJPSMEWKEVFDLCT-QGZVFWFLSA-N
MW416.36 g/mol
LogP4.80
Rot. Bonds2

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

(4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427315) has the molecular formula C21H23Cl2N5 and a molecular weight of 416.36 g/mol. Its IUPAC name is (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427315
Molecular FormulaC21H23Cl2N5
Molecular Weight416.36 g/mol
Exact Mass415.13
IUPAC Name(4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H23Cl2N5/c22-16-4-1-3-14(18(16)23)15-13-26-20(28-12-9-25-19(15)28)27-10-7-21(8-11-27)6-2-5-17(21)24/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2/t17-/m1/s1
InChIKeyJPSMEWKEVFDLCT-QGZVFWFLSA-N
XLogP4.80
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427315) is (4R)-8-[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-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is JPSMEWKEVFDLCT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23Cl2N5/c22-16-4-1-3-14(18(16)23)15-13-26-20(28-12-9-25-19(15)28)27-10-7-21(8-11-27)6-2-5-17(21)24/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2/t17-/m1/s1.
What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 416.36 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).