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

C22H25Cl2N5 — CID 146466837

IUPAC(4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2N5/c1-14-19(15-4-5-16(23)17(24)13-15)20-26-9-12-29(20)21(27-14)28-10-7-22(8-11-28)6-2-3-18(22)25/h4-5,9,12-13,18H,2-3,6-8,10-11,25H2,1H3/t18-/m1/s1
InChIKeyRDMACMFSOMURQF-GOSISDBHSA-N
MW430.38 g/mol
LogP5.11
Rot. Bonds2

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

(4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466837) has the molecular formula C22H25Cl2N5 and a molecular weight of 430.38 g/mol. Its IUPAC name is (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466837
Molecular FormulaC22H25Cl2N5
Molecular Weight430.38 g/mol
Exact Mass429.15
IUPAC Name(4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2N5/c1-14-19(15-4-5-16(23)17(24)13-15)20-26-9-12-29(20)21(27-14)28-10-7-22(8-11-28)6-2-3-18(22)25/h4-5,9,12-13,18H,2-3,6-8,10-11,25H2,1H3/t18-/m1/s1
InChIKeyRDMACMFSOMURQF-GOSISDBHSA-N
XLogP5.11
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466837) is (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RDMACMFSOMURQF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25Cl2N5/c1-14-19(15-4-5-16(23)17(24)13-15)20-26-9-12-29(20)21(27-14)28-10-7-22(8-11-28)6-2-3-18(22)25/h4-5,9,12-13,18H,2-3,6-8,10-11,25H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 430.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(3,4-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).