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

C66H75Cl6N15 — CID 158097827

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

SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl

InChIInChI=1S/3C22H25Cl2N5/c3*1-14-18(15-4-2-5-16(23)19(15)24)20-26-10-13-29(20)21(27-14)28-11-8-22(9-12-28)7-3-6-17(22)25/h3*2,4-5,10,13,17H,3,6-9,11-12,25H2,1H3/t3*17-/m111/s1

InChIKeyFOWOEMZPIHSRTD-IGNMMOLZSA-N

MW1291.15 g/mol

LogP15.33

Rot. Bonds6

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

(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 158097827) has the molecular formula C66H75Cl6N15 and a molecular weight of 1291.15 g/mol. Its IUPAC name is (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name	(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID	158097827
Molecular Formula	C66H75Cl6N15
Molecular Weight	1291.15 g/mol
Exact Mass	1287.45
IUPAC Name	(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILES	Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl
InChI	InChI=1S/3C22H25Cl2N5/c31-14-18(15-4-2-5-16(23)19(15)24)20-26-10-13-29(20)21(27-14)28-11-8-22(9-12-28)7-3-6-17(22)25/h32,4-5,10,13,17H,3,6-9,11-12,25H2,1H3/t3*17-/m111/s1
InChIKey	FOWOEMZPIHSRTD-IGNMMOLZSA-N
XLogP	15.33
TPSA	178.35 Å²
H-Bond Donors	3
H-Bond Acceptors	15
Rotatable Bonds	6
Heavy Atoms	87
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1291.15
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 158097827) is (4R)-8-[8-(2,3-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-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-8-[8-(2,3-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-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.

What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The InChIKey is FOWOEMZPIHSRTD-IGNMMOLZSA-N. The full InChI is InChI=1S/3C22H25Cl2N5/c3*1-14-18(15-4-2-5-16(23)19(15)24)20-26-10-13-29(20)21(27-14)28-11-8-22(9-12-28)7-3-6-17(22)25/h3*2,4-5,10,13,17H,3,6-9,11-12,25H2,1H3/t3*17-/m111/s1.

What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1291.15 g/mol, XLogP of 15.33, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 158097827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).